4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide

C14H18N2O5S2 — CID 109058398

IUPAC4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O5S2/c17-14(15-12-7-8-22(18,19)9-12)10-1-5-13(6-2-10)23(20,21)16-11-3-4-11/h1-2,5-6,11-12,16H,3-4,7-9H2,(H,15,17)
InChIKeyOKJSBYARPSLGTE-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.04
Rot. Bonds5

About 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide

4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 109058398) has the molecular formula C14H18N2O5S2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID109058398
Molecular FormulaC14H18N2O5S2
Molecular Weight358.44 g/mol
Exact Mass358.07
IUPAC Name4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C14H18N2O5S2/c17-14(15-12-7-8-22(18,19)9-12)10-1-5-13(6-2-10)23(20,21)16-11-3-4-11/h1-2,5-6,11-12,16H,3-4,7-9H2,(H,15,17)
InChIKeyOKJSBYARPSLGTE-UHFFFAOYSA-N
XLogP0.04
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109059272
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 42581083
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43036891
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710577
N-(1,1-dioxothiolan-3-yl)-4-(trifluoromethyl)benzamide
CID 17475086
(4-chlorophenyl) 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 43038591

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide (CID 109058398) is 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide is O=C(NC1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is OKJSBYARPSLGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S2/c17-14(15-12-7-8-22(18,19)9-12)10-1-5-13(6-2-10)23(20,21)16-11-3-4-11/h1-2,5-6,11-12,16H,3-4,7-9H2,(H,15,17).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide?
4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 358.44 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 109058398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).