N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide

C14H12BrN3O2S — CID 107793382

IUPACN-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2Br)cc1
InChIInChI=1S/C14H12BrN3O2S/c1-17-11-3-5-12(6-4-11)21(19,20)18-14-7-2-10(9-16)8-13(14)15/h2-8,17-18H,1H3
InChIKeyGXDDZQSKEOGNFM-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.16
Rot. Bonds4

About N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide

N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide (PubChem CID 107793382) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
PubChem CID107793382
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC NameN-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2Br)cc1
InChIInChI=1S/C14H12BrN3O2S/c1-17-11-3-5-12(6-4-11)21(19,20)18-14-7-2-10(9-16)8-13(14)15/h2-8,17-18H,1H3
InChIKeyGXDDZQSKEOGNFM-UHFFFAOYSA-N
XLogP3.16
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-cyanophenyl)-4-(bromomethyl)benzenesulfonamide
CID 65482001
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
N-(2-bromo-4-fluorophenyl)-4-cyanobenzenesulfonamide
CID 3852570
N-(2-bromo-4-cyanophenyl)-6-cyanopyridine-3-sulfonamide
CID 103278188
N-(2,5-dibromophenyl)-4-(methylamino)benzenesulfonamide
CID 61468471
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
CID 64593313
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
3-amino-4-bromo-N-(5-cyano-2-methylphenyl)benzenesulfonamide
CID 115329217
N-(2-bromo-4-cyanophenyl)-1-chloromethanesulfonamide
CID 63666621
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
CID 103580550
N-(2-bromo-4-cyanophenyl)-1-methylimidazole-4-sulfonamide
CID 103580545

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide (CID 107793382) is N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide is CNc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide?
The InChIKey is GXDDZQSKEOGNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-17-11-3-5-12(6-4-11)21(19,20)18-14-7-2-10(9-16)8-13(14)15/h2-8,17-18H,1H3.
What are the key properties of N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide?
N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-4-(methylamino)benzenesulfonamide is sourced from PubChem (CID 107793382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).