2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide

C17H17N3O4S — CID 126798915

IUPAC2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCc4ccccc4OC3)cc2[nH]1
InChIInChI=1S/C17H17N3O4S/c21-17-18-14-8-7-13(9-15(14)19-17)25(22,23)20-12-6-5-11-3-1-2-4-16(11)24-10-12/h1-4,7-9,12,20H,5-6,10H2,(H2,18,19,21)
InChIKeyPBMRMTBXNHCGGR-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.53
Rot. Bonds3

About 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide

2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 126798915) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID126798915
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NC3CCc4ccccc4OC3)cc2[nH]1
InChIInChI=1S/C17H17N3O4S/c21-17-18-14-8-7-13(9-15(14)19-17)25(22,23)20-12-6-5-11-3-1-2-4-16(11)24-10-12/h1-4,7-9,12,20H,5-6,10H2,(H2,18,19,21)
InChIKeyPBMRMTBXNHCGGR-UHFFFAOYSA-N
XLogP1.53
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide with MolForge

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Related Compounds

N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777909
2,3-dioxo-N-(4-phenylcyclohexyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 34112148
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 55535615
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
ethyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]piperidine-1-carboxylate
CID 110413355
N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827
N-[2-(1,3-dioxolan-2-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110398472
6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 16788179
3-bromo-N-(3,4-dihydro-2H-chromen-3-yl)-5-nitrobenzenesulfonamide
CID 86902082

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide (CID 126798915) is 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NC3CCc4ccccc4OC3)cc2[nH]1.
What is the InChIKey of 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is PBMRMTBXNHCGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c21-17-18-14-8-7-13(9-15(14)19-17)25(22,23)20-12-6-5-11-3-1-2-4-16(11)24-10-12/h1-4,7-9,12,20H,5-6,10H2,(H2,18,19,21).
What are the key properties of 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-3-yl)-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 126798915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).