2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide

C15H16BrNO3S — CID 62003855

IUPAC2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2Br)cc1
InChIInChI=1S/C15H16BrNO3S/c1-11-4-9-15(14(16)10-11)21(18,19)17(2)12-5-7-13(20-3)8-6-12/h4-10H,1-3H3
InChIKeyQZSNAXKVFNANKG-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.59
Rot. Bonds4

About 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide

2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 62003855) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
PubChem CID62003855
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2Br)cc1
InChIInChI=1S/C15H16BrNO3S/c1-11-4-9-15(14(16)10-11)21(18,19)17(2)12-5-7-13(20-3)8-6-12/h4-10H,1-3H3
InChIKeyQZSNAXKVFNANKG-UHFFFAOYSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 62004233
2-bromo-N-methoxy-N,4-dimethylbenzenesulfonamide
CID 60765176
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
5-amino-4-bromo-N,2-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 114625565
5-amino-2-bromo-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 65206643
2-bromo-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 55029369
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 46567304
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
2-chloro-N,4-dimethyl-N-naphthalen-2-ylbenzenesulfonamide
CID 24629182
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 2-(2,4-dimethylphenoxy)acetate
CID 16550880

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide (CID 62003855) is 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2Br)cc1.
What is the InChIKey of 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is QZSNAXKVFNANKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-11-4-9-15(14(16)10-11)21(18,19)17(2)12-5-7-13(20-3)8-6-12/h4-10H,1-3H3.
What are the key properties of 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide?
2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-methoxyphenyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 62003855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).