4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide

C13H15N5O5S2 — CID 42954274

IUPAC4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H15N5O5S2/c19-12(16-13-14-8-15-17-13)9-1-3-11(4-2-9)25(22,23)18-10-5-6-24(20,21)7-10/h1-4,8,10,18H,5-7H2,(H2,14,15,16,17,19)
InChIKeyPKFRYXGYSCMVGC-UHFFFAOYSA-N
MW385.43 g/mol
LogP-0.48
Rot. Bonds5

About 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide

4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 42954274) has the molecular formula C13H15N5O5S2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID42954274
Molecular FormulaC13H15N5O5S2
Molecular Weight385.43 g/mol
Exact Mass385.05
IUPAC Name4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C13H15N5O5S2/c19-12(16-13-14-8-15-17-13)9-1-3-11(4-2-9)25(22,23)18-10-5-6-24(20,21)7-10/h1-4,8,10,18H,5-7H2,(H2,14,15,16,17,19)
InChIKeyPKFRYXGYSCMVGC-UHFFFAOYSA-N
XLogP-0.48
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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
4-(cyclopropylsulfamoyl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 109058398
4-(2,5-dimethylpyrrol-1-yl)-N-[4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]phenyl]benzamide
CID 40796098
N-(benzhydrylideneamino)-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 43036891
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24680155
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24570139
ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
(4-chlorophenyl) 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 43038591
4-[[(3R)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26002695
4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26003595

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 42954274) is 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1ccc(S(=O)(=O)NC2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is PKFRYXGYSCMVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O5S2/c19-12(16-13-14-8-15-17-13)9-1-3-11(4-2-9)25(22,23)18-10-5-6-24(20,21)7-10/h1-4,8,10,18H,5-7H2,(H2,14,15,16,17,19).
What are the key properties of 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 385.43 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 42954274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).