3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide

C16H17N3O3S — CID 110400828

IUPAC3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCn2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C16H17N3O3S/c1-12-5-4-6-13(11-12)23(21,22)17-9-10-19-15-8-3-2-7-14(15)18-16(19)20/h2-8,11,17H,9-10H2,1H3,(H,18,20)
InChIKeyMMUDPVJEZKWESD-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.62
Rot. Bonds5

About 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide

3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 110400828) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
PubChem CID110400828
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCn2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C16H17N3O3S/c1-12-5-4-6-13(11-12)23(21,22)17-9-10-19-15-8-3-2-7-14(15)18-16(19)20/h2-8,11,17H,9-10H2,1H3,(H,18,20)
InChIKeyMMUDPVJEZKWESD-UHFFFAOYSA-N
XLogP1.62
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide
CID 110400804
2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110400838
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 110400819
N-[2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 113092178
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110400794
N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113092280
3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 53063305
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methylbenzenesulfonamide
CID 110719186
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110396494
N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 110603181
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 110396504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide (CID 110400828) is 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCn2c(=O)[nH]c3ccccc32)c1.
What is the InChIKey of 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is MMUDPVJEZKWESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-12-5-4-6-13(11-12)23(21,22)17-9-10-19-15-8-3-2-7-14(15)18-16(19)20/h2-8,11,17H,9-10H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide?
3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110400828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).