4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide

C16H17N3O4S — CID 110785308

IUPAC4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C16H17N3O4S/c1-10-7-12(23-2)4-6-15(10)24(21,22)17-9-11-3-5-13-14(8-11)19-16(20)18-13/h3-8,17H,9H2,1-2H3,(H2,18,19,20)
InChIKeyTXXPEHMDQJTEOS-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.65
Rot. Bonds5

About 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide

4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110785308) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide
PubChem CID110785308
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C16H17N3O4S/c1-10-7-12(23-2)4-6-15(10)24(21,22)17-9-11-3-5-13-14(8-11)19-16(20)18-13/h3-8,17H,9H2,1-2H3,(H2,18,19,20)
InChIKeyTXXPEHMDQJTEOS-UHFFFAOYSA-N
XLogP1.65
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110781066
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110672585
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 110787119
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 22745215
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
N-[(5-chlorofuran-2-yl)methyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110732049
4-methoxy-2-methyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110642092
N-[(4-methoxyphenyl)methyl]-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995582
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide (CID 110785308) is 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is TXXPEHMDQJTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10-7-12(23-2)4-6-15(10)24(21,22)17-9-11-3-5-13-14(8-11)19-16(20)18-13/h3-8,17H,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110785308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).