3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide

C14H10BrClN2O2S — CID 100616708

IUPAC3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(Br)c2Cl)c1C#N
InChIInChI=1S/C14H10BrClN2O2S/c1-9-4-2-6-12(10(9)8-17)18-21(19,20)13-7-3-5-11(15)14(13)16/h2-7,18H,1H3
InChIKeyQGYLJPCWPALDGD-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.08
Rot. Bonds3

About 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide

3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide (PubChem CID 100616708) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide
PubChem CID100616708
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(Br)c2Cl)c1C#N
InChIInChI=1S/C14H10BrClN2O2S/c1-9-4-2-6-12(10(9)8-17)18-21(19,20)13-7-3-5-11(15)14(13)16/h2-7,18H,1H3
InChIKeyQGYLJPCWPALDGD-UHFFFAOYSA-N
XLogP4.08
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-bromo-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802523
N-(2-cyano-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 103920662
5-bromo-N-(2-cyano-3-methylphenyl)pyridine-3-sulfonamide
CID 103920613
N-(3-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzenesulfonamide
CID 172538343
N-(4-bromo-2,3-dichlorophenyl)-2-methylbenzenesulfonamide
CID 107794350
3-amino-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802519
3-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 164657063
2-amino-N-(2-cyano-3-methylphenyl)ethanesulfonamide
CID 107804201
N-(3-bromo-2-methylphenyl)-2-cyanopyridine-3-sulfonamide
CID 106703731
N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 107804251
2-chloro-3-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 166324507
N-(2-bromo-3-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103522055

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide (CID 100616708) is 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(Br)c2Cl)c1C#N.
What is the InChIKey of 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide?
The InChIKey is QGYLJPCWPALDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-9-4-2-6-12(10(9)8-17)18-21(19,20)13-7-3-5-11(15)14(13)16/h2-7,18H,1H3.
What are the key properties of 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide?
3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide has a molecular weight of 385.67 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(2-cyano-3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 100616708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).