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

C15H15N3O3S — CID 3157364

IUPAC2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H15N3O3S/c19-15-17-13-7-6-12(10-14(13)18-15)22(20,21)16-9-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H2,17,18,19)
InChIKeyKDGSWTOTHOGMDD-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.38
Rot. Bonds5

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

2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 3157364) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID3157364
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCCc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H15N3O3S/c19-15-17-13-7-6-12(10-14(13)18-15)22(20,21)16-9-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H2,17,18,19)
InChIKeyKDGSWTOTHOGMDD-UHFFFAOYSA-N
XLogP1.38
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-nitrophenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110632855
2,3-dioxo-N-(4-phenylbutyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 24622217
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791236
N-[2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]ethyl]benzamide
CID 110630632
2-oxo-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110665410
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 24981727
3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]propanoate
CID 2207002
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]butanoate
CID 7263204
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110739430
N-[4-(2-methoxyphenyl)butyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110409215
N-(4-methoxybutyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110418054
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide (CID 3157364) is 2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCCc3ccccc3)cc2[nH]1.
What is the InChIKey of 2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is KDGSWTOTHOGMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-15-17-13-7-6-12(10-14(13)18-15)22(20,21)16-9-8-11-4-2-1-3-5-11/h1-7,10,16H,8-9H2,(H2,17,18,19).
What are the key properties of 2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-phenylethyl)-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 3157364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).