N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide

C14H14BrNO3S — CID 169369936

IUPACN-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Br
InChIInChI=1S/C14H14BrNO3S/c1-10-3-6-12(7-4-10)20(17,18)16-11-5-8-13(15)14(9-11)19-2/h3-9,16H,1-2H3
InChIKeyKWDIWGAVXYHOAE-UHFFFAOYSA-N
MW356.24 g/mol
LogP3.57
Rot. Bonds4

About N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide

N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 169369936) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID169369936
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC NameN-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Br
InChIInChI=1S/C14H14BrNO3S/c1-10-3-6-12(7-4-10)20(17,18)16-11-5-8-13(15)14(9-11)19-2/h3-9,16H,1-2H3
InChIKeyKWDIWGAVXYHOAE-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
6-amino-N-(4-bromo-3-methoxyphenyl)pyridine-3-sulfonamide
CID 82857469
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
4-bromo-3-methoxy-N-pyridin-4-ylbenzenesulfonamide
CID 6471140
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
N-(4-bromo-3-cyanophenyl)-4-methylbenzenesulfonamide
CID 169370042
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
5-amino-N-(4-bromo-3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 82859179
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide (CID 169369936) is N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide is COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is KWDIWGAVXYHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3S/c1-10-3-6-12(7-4-10)20(17,18)16-11-5-8-13(15)14(9-11)19-2/h3-9,16H,1-2H3.
What are the key properties of N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide?
N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 356.24 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169369936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).