4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C14H13F3N4O4S — CID 8842471

IUPAC4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C14H13F3N4O4S/c15-14(16,17)8-19-12(22)9-3-5-10(6-4-9)26(24,25)21-20-13(23)11-2-1-7-18-11/h1-7,18,21H,8H2,(H,19,22)(H,20,23)
InChIKeySJTCWDKAYQFAGA-UHFFFAOYSA-N
MW390.34 g/mol
LogP0.93
Rot. Bonds6

About 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 8842471) has the molecular formula C14H13F3N4O4S and a molecular weight of 390.34 g/mol. Its IUPAC name is 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID8842471
Molecular FormulaC14H13F3N4O4S
Molecular Weight390.34 g/mol
Exact Mass390.06
IUPAC Name4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C14H13F3N4O4S/c15-14(16,17)8-19-12(22)9-3-5-10(6-4-9)26(24,25)21-20-13(23)11-2-1-7-18-11/h1-7,18,21H,8H2,(H,19,22)(H,20,23)
InChIKeySJTCWDKAYQFAGA-UHFFFAOYSA-N
XLogP0.93
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 50.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-(cyanomethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 9452221
4-[(2-bromophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31578755
4-[3-(methylamino)propylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119965025
N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8842403
N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8842495
4-[(2-methoxy-2-phenylethyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78877934
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
4-(pyridin-2-ylmethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 40665030
4-[(1-methylpiperidin-4-yl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 78808928
4-[[1-(aminomethyl)cyclopentyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119980966
4-[[[4-(trifluoromethyl)benzoyl]amino]sulfamoyl]benzoic acid
CID 155949885

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 8842471) is 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NNC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is SJTCWDKAYQFAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O4S/c15-14(16,17)8-19-12(22)9-3-5-10(6-4-9)26(24,25)21-20-13(23)11-2-1-7-18-11/h1-7,18,21H,8H2,(H,19,22)(H,20,23).
What are the key properties of 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 390.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 8842471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).