2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

C15H15N3O5S — CID 15990073

IUPAC2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C15H15N3O5S/c1-22-10-4-6-13(23-2)14(8-10)24(20,21)18-9-3-5-11-12(7-9)17-15(19)16-11/h3-8,18H,1-2H3,(H2,16,17,19)
InChIKeyMSCMQPLTLRQPOT-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.67
Rot. Bonds5

About 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide

2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (PubChem CID 15990073) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
PubChem CID15990073
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C15H15N3O5S/c1-22-10-4-6-13(23-2)14(8-10)24(20,21)18-9-3-5-11-12(7-9)17-15(19)16-11/h3-8,18H,1-2H3,(H2,16,17,19)
InChIKeyMSCMQPLTLRQPOT-UHFFFAOYSA-N
XLogP1.67
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 1250430
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 6493637
5-Chloro-2-methoxy-N-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL)benzene-1-sulfonamide
CID 3163501
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-ethoxybenzenesulfonamide
CID 6493142
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3-fluoro-4-methoxybenzenesulfonamide
CID 6501570
5-chloro-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-methoxybenzenesulfonamide
CID 15990071
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2,5-dimethoxybenzenesulfonamide
CID 15990089
5-chloro-3-(3-methoxyphenyl)sulfonyl-1H-benzimidazol-2-one
CID 46232825
2-methoxy-N-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzenesulfonamide
CID 168283117
N-(2-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 970419
N-(4-methoxyphenyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 2956552
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 49190359

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide (CID 15990073) is 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is MSCMQPLTLRQPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-22-10-4-6-13(23-2)14(8-10)24(20,21)18-9-3-5-11-12(7-9)17-15(19)16-11/h3-8,18H,1-2H3,(H2,16,17,19).
What are the key properties of 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide?
2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 349.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 15990073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).