N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide

C13H11BrClNO2S — CID 7718536

IUPACN-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C13H11BrClNO2S/c1-9-8-12(6-7-13(9)15)19(17,18)16-11-4-2-10(14)3-5-11/h2-8,16H,1H3
InChIKeyPYRUPVFGWNMXJM-UHFFFAOYSA-N
MW360.66 g/mol
LogP4.21
Rot. Bonds3

About N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide

N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide (PubChem CID 7718536) has the molecular formula C13H11BrClNO2S and a molecular weight of 360.66 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
PubChem CID7718536
Molecular FormulaC13H11BrClNO2S
Molecular Weight360.66 g/mol
Exact Mass358.94
IUPAC NameN-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C13H11BrClNO2S/c1-9-8-12(6-7-13(9)15)19(17,18)16-11-4-2-10(14)3-5-11/h2-8,16H,1H3
InChIKeyPYRUPVFGWNMXJM-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(4-hydroxyphenyl)-3-methylbenzenesulfonamide
CID 697402
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
4-chloro-N-[4-(dimethylamino)phenyl]-3-methylbenzenesulfonamide
CID 113098713
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
4-bromo-N-(4-bromo-3-chlorophenyl)benzenesulfonamide
CID 19683886
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
4-chloro-3-methylbenzenesulfonohydrazide
CID 82079936
4-[(4-bromophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 1333820

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide (CID 7718536) is N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide?
The InChIKey is PYRUPVFGWNMXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2S/c1-9-8-12(6-7-13(9)15)19(17,18)16-11-4-2-10(14)3-5-11/h2-8,16H,1H3.
What are the key properties of N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide?
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide has a molecular weight of 360.66 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide is sourced from PubChem (CID 7718536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).