N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide

C13H11BrClNO2S — CID 47308881

IUPACN-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1Cl
InChIInChI=1S/C13H11BrClNO2S/c1-9-6-7-10(8-12(9)15)19(17,18)16-13-5-3-2-4-11(13)14/h2-8,16H,1H3
InChIKeyNZMGRQTZISRJBM-UHFFFAOYSA-N
MW360.66 g/mol
LogP4.21
Rot. Bonds3

About N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide

N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide (PubChem CID 47308881) has the molecular formula C13H11BrClNO2S and a molecular weight of 360.66 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
PubChem CID47308881
Molecular FormulaC13H11BrClNO2S
Molecular Weight360.66 g/mol
Exact Mass358.94
IUPAC NameN-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1Cl
InChIInChI=1S/C13H11BrClNO2S/c1-9-6-7-10(8-12(9)15)19(17,18)16-13-5-3-2-4-11(13)14/h2-8,16H,1H3
InChIKeyNZMGRQTZISRJBM-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

N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
4-chloro-N-(2-chlorophenyl)-3-methylbenzenesulfonamide
CID 839413
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
3-chloro-N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 39629010
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272
N-(2-bromophenyl)-2-chlorobenzenesulfonamide
CID 4816661
N-(2-bromophenyl)-4-fluorobenzenesulfonamide
CID 835592
N-[4,5-dichloro-2-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970049
N-(2-bromophenyl)-2,3,4-trimethylbenzenesulfonamide
CID 21210098
3-(aminomethyl)-N-(2-chlorophenyl)-4-methylbenzenesulfonamide
CID 106061930
4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
CID 81438669

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide (CID 47308881) is N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1Cl.
What is the InChIKey of N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide?
The InChIKey is NZMGRQTZISRJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2S/c1-9-6-7-10(8-12(9)15)19(17,18)16-13-5-3-2-4-11(13)14/h2-8,16H,1H3.
What are the key properties of N-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide?
N-(2-bromophenyl)-3-chloro-4-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-(2-bromophenyl)-3-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 47308881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).