2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide

C14H13BrClNO2S — CID 51888410

IUPAC2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c1-10-2-7-14(13(15)8-10)20(18,19)17-9-11-3-5-12(16)6-4-11/h2-8,17H,9H2,1H3
InChIKeyQVBZWPQXQCPAQD-UHFFFAOYSA-N
MW374.69 g/mol
LogP3.89
Rot. Bonds4

About 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide

2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 51888410) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID51888410
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC Name2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c1-10-2-7-14(13(15)8-10)20(18,19)17-9-11-3-5-12(16)6-4-11/h2-8,17H,9H2,1H3
InChIKeyQVBZWPQXQCPAQD-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248631
2-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 120724258
4-bromo-2,5-dimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 91669643
N-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
2-bromo-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 60732174
2,3,4-trifluoro-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572415
2-bromo-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60824533
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
2-amino-5-bromo-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 60986118
2-bromo-4-fluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47264299
2-bromo-N-[(4-chlorophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106023358

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide (CID 51888410) is 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is QVBZWPQXQCPAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-10-2-7-14(13(15)8-10)20(18,19)17-9-11-3-5-12(16)6-4-11/h2-8,17H,9H2,1H3.
What are the key properties of 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide?
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 51888410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).