2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide

C17H16N4O5S — CID 110420138

IUPAC2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=C1COCCN1c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H16N4O5S/c22-16-10-26-8-7-21(16)12-3-1-11(2-4-12)20-27(24,25)13-5-6-14-15(9-13)19-17(23)18-14/h1-6,9,20H,7-8,10H2,(H2,18,19,23)
InChIKeyGPAKJAXMAHGGPI-UHFFFAOYSA-N
MW388.41 g/mol
LogP1.02
Rot. Bonds4

About 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide

2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide (PubChem CID 110420138) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
PubChem CID110420138
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
SMILESO=C1COCCN1c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C17H16N4O5S/c22-16-10-26-8-7-21(16)12-3-1-11(2-4-12)20-27(24,25)13-5-6-14-15(9-13)19-17(23)18-14/h1-6,9,20H,7-8,10H2,(H2,18,19,23)
InChIKeyGPAKJAXMAHGGPI-UHFFFAOYSA-N
XLogP1.02
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]benzenesulfonamide
CID 110363640
N-[4-[[4-(3-oxomorpholin-4-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 110363646
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8841856
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
5-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]thiophene-2-sulfonamide
CID 110363635
2-oxo-N-[4-(trifluoromethyl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110423453
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 91819596
N-(2-methylphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372468
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-[4-(difluoromethylsulfanyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7586520
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812
N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
CID 110363609

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The IUPAC name of 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide (CID 110420138) is 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The canonical SMILES for 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide is O=C1COCCN1c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
The InChIKey is GPAKJAXMAHGGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S/c22-16-10-26-8-7-21(16)12-3-1-11(2-4-12)20-27(24,25)13-5-6-14-15(9-13)19-17(23)18-14/h1-6,9,20H,7-8,10H2,(H2,18,19,23).
What are the key properties of 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide?
2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide has a molecular weight of 388.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide is sourced from PubChem (CID 110420138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).