N-(4-aminobutyl)biphenyl-4-sulfonamide

HCID 11601917

Notes Reactions

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Basic information

CAS: 871113-72-3
Standard SMILES: NCCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIKey: UHRPJKWBNMHTKF-UHFFFAOYSA-N
Molecular formula: C16H20N2O2S
Average molar mass: 304.4 g/mol
Monoisotopic mass: 304.12454906

Names & identifiers

Preferred name: N-(4-aminobutyl)biphenyl-4-sulfonamide
IUPAC: N-(4-aminobutyl)-4-phenylbenzenesulfonamide

Names & synonyms

N-(4-aminobutyl)biphenyl-4-sulfonamide871113-72-3SCHEMBL2008353DTXSID80469297UHRPJKWBNMHTKF-UHFFFAOYSA-NBiphenyl-4-sulfonic acid (4-amino-butyl)amideN-(4-Aminobutyl)[1,1'-biphenyl]-4-sulfonamide

Database identifiers

CAS: 871113-72-3
PubChem CID: 11601917
DTXSID: DTXSID80469297

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 80.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 378

Related reactions

3 records

New reaction record

HRID 300608As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 318025As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 2425132As reactantuspto-grants-2011_06

Compound notes

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