Basic information
- CAS
349122-21-0- Standard SMILES
COc1ccc(C)cc1NS(=O)(=O)c1ccc(Cl)cc1- InChIKey
LMMAQGBDHORAIP-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO3S
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.0382922
Names & identifiers
- Preferred name
- 4-chloro-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
- IUPAC
- 4-chloro-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
- English name
- 4-chloro-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
- Molecular formula
- C14H14ClNO3S
- Molecular weight
- 311.78
Names & synonyms
4-chloro-N-(2-methoxy-5-methylphenyl)benzenesulfonamide5332-45-64-Chloro-N-(2-methoxy-5-methylphenyl)benzene-1-sulfonamideCBMicro_000247DTXSID00967927SMSF0005212STK046209AKOS000609410CB01419BIM-0000039.P001ST50225594AK-968/09693011
Show more names
Benzenesulfonamide, 4-chloro-N-(2-methoxy-5-methylphenyl)-
[(4-chlorophenyl)sulfonyl](2-methoxy-5-methylphenyl)amine
Database identifiers
- CAS
349122-21-0、5332-45-6- PubChem CID
- 795656
- DTXSID
DTXSID00967927
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Boiling point
- 447.3 · 447.3±55.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- pka
- 8.18 · 8.18±0.10(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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