2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide

C19H21BrN4O4S — CID 50832787

IUPAC2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccccc3Br)cc21
InChIInChI=1S/C19H21BrN4O4S/c1-22-16-11-14(21-29(26,27)18-6-4-3-5-13(18)20)15(24-7-9-28-10-8-24)12-17(16)23(2)19(22)25/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyWKNYWQHUSKUQQE-UHFFFAOYSA-N
MW481.37 g/mol
LogP2.28
Rot. Bonds4

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

2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 50832787) has the molecular formula C19H21BrN4O4S and a molecular weight of 481.37 g/mol. Its IUPAC name is 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide
PubChem CID50832787
Molecular FormulaC19H21BrN4O4S
Molecular Weight481.37 g/mol
Exact Mass480.05
IUPAC Name2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccccc3Br)cc21
InChIInChI=1S/C19H21BrN4O4S/c1-22-16-11-14(21-29(26,27)18-6-4-3-5-13(18)20)15(24-7-9-28-10-8-24)12-17(16)23(2)19(22)25/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyWKNYWQHUSKUQQE-UHFFFAOYSA-N
XLogP2.28
TPSA85.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide with MolForge

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Related Compounds

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 50832756
2-bromo-N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoquinoxalin-6-yl)benzamide
CID 41156605
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 55880070
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
CID 50792069
1-benzyl-3-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)urea
CID 50791903
4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide
CID 20946710
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
CID 50791995
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 110362709

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide (CID 50832787) is 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide is Cn1c(=O)n(C)c2cc(N3CCOCC3)c(NS(=O)(=O)c3ccccc3Br)cc21.
What is the InChIKey of 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is WKNYWQHUSKUQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O4S/c1-22-16-11-14(21-29(26,27)18-6-4-3-5-13(18)20)15(24-7-9-28-10-8-24)12-17(16)23(2)19(22)25/h3-6,11-12,21H,7-10H2,1-2H3.
What are the key properties of 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide?
2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 481.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50832787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).