1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide

C16H17N3O4S — CID 19771137

IUPAC1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C16H17N3O4S/c1-18(2)24(21,22)11-8-9-13-12(10-11)17-16(20)19(13)14-6-4-5-7-15(14)23-3/h4-10H,1-3H3,(H,17,20)
InChIKeyOHZHFAITHCZQJD-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.58
Rot. Bonds4

About 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide

1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide (PubChem CID 19771137) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide
PubChem CID19771137
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide
SMILESCOc1ccccc1-n1c(=O)[nH]c2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C16H17N3O4S/c1-18(2)24(21,22)11-8-9-13-12(10-11)17-16(20)19(13)14-6-4-5-7-15(14)23-3/h4-10H,1-3H3,(H,17,20)
InChIKeyOHZHFAITHCZQJD-UHFFFAOYSA-N
XLogP1.58
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-3-(2-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261398
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
3-(5-amino-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 82513986
4-(2-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 17233930
4-fluoro-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 117209214
4-methoxy-N,N-dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 38015477
4-(6-chloro-7-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)-N,N-dimethylbenzenesulfonamide
CID 118724938
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylnaphthalene-2-sulfonamide
CID 42720888
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylbenzenesulfonamide
CID 42723013
methyl 1-(5-ethyl-2,4-dimethoxyphenyl)-2-oxo-3H-benzimidazole-5-carboxylate
CID 68930217
6-methoxy-3-(2-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 87203073
N,N,11-trimethyl-6-oxo-5H-benzo[b][1,4]benzodiazepine-3-sulfonamide
CID 164683168

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide (CID 19771137) is 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide is COc1ccccc1-n1c(=O)[nH]c2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide?
The InChIKey is OHZHFAITHCZQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-18(2)24(21,22)11-8-9-13-12(10-11)17-16(20)19(13)14-6-4-5-7-15(14)23-3/h4-10H,1-3H3,(H,17,20).
What are the key properties of 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide?
1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 19771137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).