N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C14H12BrN3O3S — CID 110421824

IUPACN-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Br
InChIInChI=1S/C14H12BrN3O3S/c1-8-2-3-9(6-11(8)15)18-22(20,21)10-4-5-12-13(7-10)17-14(19)16-12/h2-7,18H,1H3,(H2,16,17,19)
InChIKeyGRZNVLQSAGSNGN-UHFFFAOYSA-N
MW382.24 g/mol
LogP2.73
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110421824) has the molecular formula C14H12BrN3O3S and a molecular weight of 382.24 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110421824
Molecular FormulaC14H12BrN3O3S
Molecular Weight382.24 g/mol
Exact Mass380.98
IUPAC NameN-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Br
InChIInChI=1S/C14H12BrN3O3S/c1-8-2-3-9(6-11(8)15)18-22(20,21)10-4-5-12-13(7-10)17-14(19)16-12/h2-7,18H,1H3,(H2,16,17,19)
InChIKeyGRZNVLQSAGSNGN-UHFFFAOYSA-N
XLogP2.73
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 752841
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
N-(3-bromo-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 63334960
N-(4-bromophenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 37165193
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
N-(4-bromophenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 4178720
N-(3-methylphenyl)-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 25374262
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
N-(3-bromo-4-methylphenyl)-4-nitrobenzenesulfonamide;ethane
CID 156650694
N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586520
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110421824) is N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is GRZNVLQSAGSNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O3S/c1-8-2-3-9(6-11(8)15)18-22(20,21)10-4-5-12-13(7-10)17-14(19)16-12/h2-7,18H,1H3,(H2,16,17,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 382.24 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110421824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).