N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide

C14H10BrClN2O2S — CID 103479577

IUPACN-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)cc1
InChIInChI=1S/C14H10BrClN2O2S/c15-14-12(16)2-1-3-13(14)18-21(19,20)11-6-4-10(5-7-11)8-9-17/h1-7,18H,8H2
InChIKeyUTWMHCDCNDJFKR-UHFFFAOYSA-N
MW385.67 g/mol
LogP3.97
Rot. Bonds4

About N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide

N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide (PubChem CID 103479577) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide
PubChem CID103479577
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC NameN-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide
SMILESN#CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)cc1
InChIInChI=1S/C14H10BrClN2O2S/c15-14-12(16)2-1-3-13(14)18-21(19,20)11-6-4-10(5-7-11)8-9-17/h1-7,18H,8H2
InChIKeyUTWMHCDCNDJFKR-UHFFFAOYSA-N
XLogP3.97
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyanomethyl)-N-(2-iodophenyl)benzenesulfonamide
CID 79185029
N-(4-amino-2-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185250
N-(4-bromo-2-methylphenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186001
3-bromo-4-chloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 106605805
N-(4-bromo-2-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79186703
N-(2-bromo-3-chlorophenyl)-6-chloropyridine-3-sulfonamide
CID 103478832
N-(2-bromo-3-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269296
4-amino-N-(2-bromo-3-chlorophenyl)-3-methylbenzenesulfonamide
CID 103477272
4-(cyanomethyl)-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 79185670
N-(2-bromo-3-chlorophenyl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 103481116
N-[3-(aminomethyl)phenyl]-4-(cyanomethyl)benzenesulfonamide
CID 79203393
N-(2-amino-6-methylphenyl)-4-(cyanomethyl)benzenesulfonamide
CID 79185502

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide (CID 103479577) is N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide is N#CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Br)cc1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide?
The InChIKey is UTWMHCDCNDJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c15-14-12(16)2-1-3-13(14)18-21(19,20)11-6-4-10(5-7-11)8-9-17/h1-7,18H,8H2.
What are the key properties of N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide?
N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide has a molecular weight of 385.67 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-4-(cyanomethyl)benzenesulfonamide is sourced from PubChem (CID 103479577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).