4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide

C16H15BrClN3O3S — CID 50796706

IUPAC4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)Nc1cc2c(cc1Cl)n(C)c(=O)n2C
InChIInChI=1S/C16H15BrClN3O3S/c1-9-6-10(17)4-5-15(9)25(23,24)19-12-8-14-13(7-11(12)18)20(2)16(22)21(14)3/h4-8,19H,1-3H3
InChIKeyQDRMURQVESBRNQ-UHFFFAOYSA-N
MW444.74 g/mol
LogP3.40
Rot. Bonds3

About 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide

4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 50796706) has the molecular formula C16H15BrClN3O3S and a molecular weight of 444.74 g/mol. Its IUPAC name is 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID50796706
Molecular FormulaC16H15BrClN3O3S
Molecular Weight444.74 g/mol
Exact Mass442.97
IUPAC Name4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)Nc1cc2c(cc1Cl)n(C)c(=O)n2C
InChIInChI=1S/C16H15BrClN3O3S/c1-9-6-10(17)4-5-15(9)25(23,24)19-12-8-14-13(7-11(12)18)20(2)16(22)21(14)3/h4-8,19H,1-3H3
InChIKeyQDRMURQVESBRNQ-UHFFFAOYSA-N
XLogP3.40
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.74
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
CID 35397514
N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
CID 50796594
6-chloro-N-(2,5-dimethylphenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 53092186
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
1,3,6-trimethyl-N-(2-methylphenyl)-2-oxobenzimidazole-5-sulfonamide
CID 53092106
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
4-bromo-N-(1,5-dimethylpyrazol-3-yl)-2-methylbenzenesulfonamide
CID 91648724
5-chloro-2-methoxy-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 20962012
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
4-bromo-N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 104724305
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide (CID 50796706) is 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide is Cc1cc(Br)ccc1S(=O)(=O)Nc1cc2c(cc1Cl)n(C)c(=O)n2C.
What is the InChIKey of 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is QDRMURQVESBRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN3O3S/c1-9-6-10(17)4-5-15(9)25(23,24)19-12-8-14-13(7-11(12)18)20(2)16(22)21(14)3/h4-8,19H,1-3H3.
What are the key properties of 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide?
4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 444.74 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-chloro-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 50796706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).