N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide

C16H22N2O5S2 — CID 109059272

IUPACN-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-13-3-1-2-4-13)12-5-7-15(8-6-12)25(22,23)18-14-9-10-24(20,21)11-14/h5-8,13-14,18H,1-4,9-11H2,(H,17,19)
InChIKeyOLDXASAPCNPAQF-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.82
Rot. Bonds5

About N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide

N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (PubChem CID 109059272) has the molecular formula C16H22N2O5S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
PubChem CID109059272
Molecular FormulaC16H22N2O5S2
Molecular Weight386.50 g/mol
Exact Mass386.10
IUPAC NameN-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
SMILESO=C(NC1CCCC1)c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H22N2O5S2/c19-16(17-13-3-1-2-4-13)12-5-7-15(8-6-12)25(22,23)18-14-9-10-24(20,21)11-14/h5-8,13-14,18H,1-4,9-11H2,(H,17,19)
InChIKeyOLDXASAPCNPAQF-UHFFFAOYSA-N
XLogP0.82
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
N-cyclopentyl-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 109063223
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoic acid
CID 2858778
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 42954274
N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43036891
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
N-cyclohexyl-4-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 97154955
4-(2,5-dimethylpyrrol-1-yl)-N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]benzamide
CID 40796098
N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide
CID 63921781
4-[(3,4-dichlorophenyl)sulfonylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 27710577
N-[(3R)-1,1-dioxothiolan-3-yl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 42581083

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The IUPAC name of N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide (CID 109059272) is N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is O=C(NC1CCCC1)c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
The InChIKey is OLDXASAPCNPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S2/c19-16(17-13-3-1-2-4-13)12-5-7-15(8-6-12)25(22,23)18-14-9-10-24(20,21)11-14/h5-8,13-14,18H,1-4,9-11H2,(H,17,19).
What are the key properties of N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide?
N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide is sourced from PubChem (CID 109059272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).