3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide

C14H10BrClN2O2S — CID 106605814

IUPAC3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10BrClN2O2S/c1-18(11-4-2-10(9-17)3-5-11)21(19,20)12-6-7-14(16)13(15)8-12/h2-8H,1H3
InChIKeyKCERLBREVWQONR-UHFFFAOYSA-N
MW385.67 g/mol
LogP3.80
Rot. Bonds3

About 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide

3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide (PubChem CID 106605814) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
PubChem CID106605814
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H10BrClN2O2S/c1-18(11-4-2-10(9-17)3-5-11)21(19,20)12-6-7-14(16)13(15)8-12/h2-8H,1H3
InChIKeyKCERLBREVWQONR-UHFFFAOYSA-N
XLogP3.80
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650281
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
CID 62982630
4-cyano-N-(4-ethylphenyl)-N-methylbenzenesulfonamide
CID 62001878
N-(2-aminophenyl)-3-bromo-4-chloro-N-methylbenzenesulfonamide
CID 106605035
N-[4-[(4-cyanophenyl)-methylsulfamoyl]phenyl]acetamide
CID 121238654
4-[(4-cyanophenyl)-methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62981433
N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 43344069
[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 4-cyanobenzoate
CID 26203204
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide
CID 62981381
N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide
CID 107465930

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide (CID 106605814) is 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide is CN(c1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide?
The InChIKey is KCERLBREVWQONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-18(11-4-2-10(9-17)3-5-11)21(19,20)12-6-7-14(16)13(15)8-12/h2-8H,1H3.
What are the key properties of 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide?
3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide has a molecular weight of 385.67 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 106605814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).