N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

C14H13N3O4S — CID 2956552

IUPACN-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O4S/c1-21-10-4-2-9(3-5-10)17-22(19,20)11-6-7-12-13(8-11)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyDPQWIECBQJNBSM-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.67
Rot. Bonds4

About N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide

N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 2956552) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID2956552
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C14H13N3O4S/c1-21-10-4-2-9(3-5-10)17-22(19,20)11-6-7-12-13(8-11)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18)
InChIKeyDPQWIECBQJNBSM-UHFFFAOYSA-N
XLogP1.67
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide (CID 2956552) is N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is DPQWIECBQJNBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-21-10-4-2-9(3-5-10)17-22(19,20)11-6-7-12-13(8-11)16-14(18)15-12/h2-8,17H,1H3,(H2,15,16,18).
What are the key properties of N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide?
N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 319.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 2956552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).