N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

C15H14BrN3O3S — CID 7455472

IUPACN-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21
InChIInChI=1S/C15H14BrN3O3S/c1-18-13-7-6-12(9-14(13)19(2)15(18)20)23(21,22)17-11-5-3-4-10(16)8-11/h3-9,17H,1-2H3
InChIKeyDAOPAUGMJLAFJX-UHFFFAOYSA-N
MW396.27 g/mol
LogP2.44
Rot. Bonds3

About N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide

N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (PubChem CID 7455472) has the molecular formula C15H14BrN3O3S and a molecular weight of 396.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
PubChem CID7455472
Molecular FormulaC15H14BrN3O3S
Molecular Weight396.27 g/mol
Exact Mass394.99
IUPAC NameN-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21
InChIInChI=1S/C15H14BrN3O3S/c1-18-13-7-6-12(9-14(13)19(2)15(18)20)23(21,22)17-11-5-3-4-10(16)8-11/h3-9,17H,1-2H3
InChIKeyDAOPAUGMJLAFJX-UHFFFAOYSA-N
XLogP2.44
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The IUPAC name of N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide (CID 7455472) is N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc21.
What is the InChIKey of N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
The InChIKey is DAOPAUGMJLAFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O3S/c1-18-13-7-6-12(9-14(13)19(2)15(18)20)23(21,22)17-11-5-3-4-10(16)8-11/h3-9,17H,1-2H3.
What are the key properties of N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide?
N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide has a molecular weight of 396.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide is sourced from PubChem (CID 7455472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).