CAS 158268-30-5 N-(4-iodophenyl)-4-methylbenzenesulfonamide (HCID 293628)

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Basic information

CAS: 158268-30-5
Standard SMILES: Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1
InChIKey: CLEZIWMPIJOFOG-UHFFFAOYSA-N
Molecular formula: C13H12INO2S
Average molar mass: 373.21 g/mol
Monoisotopic mass: 372.96334762

Names & identifiers

Preferred name: N-(4-iodophenyl)-4-methylbenzenesulfonamide
IUPAC: N-(4-iodophenyl)-4-methylbenzenesulfonamide
English name: N-(4-iodophenyl)-4-methyl-benzenesulfonamide（WS203342）
Molecular formula: C13H12INO2S
Molecular weight: 373.21

Names & synonyms

N-(4-iodophenyl)-4-methylbenzenesulfonamide158268-30-5DTXSID10303711RefChem:362041DTXCID40254843Benzenesulfonamide, N-(4-iodophenyl)-4-methyl-MFCD00441523N-(4-iodophenyl)-4-methylbenzene-1-sulfonamideNSC160474Cambridge id 5174173SCHEMBL12933562AKOS003632054

Show more names

4-Iodophenyl toluenesulfonamideN-(4-iodophenyl)-4-methyl-benzenesulfonamide（WS203342）

NSC-160474SB83704AS-67001CS-0061321N-(4-iodophenyl)-4-methyl-benzenesulfonamideW17476AN-652/05575047F609848

Database identifiers

CAS: 158268-30-5
PubChem CID: 293628
DTXSID: DTXSID10303711
Nikkaji: J845.244J

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 350

Physicochemical properties

Melting point: 96 °C · 96 °C
Boiling point: 446.5 · 446.5±55.0 °C(Predicted)
Density: 1.72 · 1.720±0.06 g/cm3(Predicted)
pka: 8.03 · 8.03±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Suppliers12 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]

北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]

苏州美石生物科技有限公司1173954148q · [email protected]

Related reactions

1 records

New reaction record

HRID 1031278As product39 compound library from "Building a Sulfonamide Library by Eco-Friendly Flow Synthesis"

Compound notes

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