4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C11H11F3N2O3S — CID 114159062

IUPAC4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)10(5-6-10)16-9(17)7-1-3-8(4-2-7)20(15,18)19/h1-4H,5-6H2,(H,16,17)(H2,15,18,19)
InChIKeyKGWOJURDEQTVAP-UHFFFAOYSA-N
MW308.28 g/mol
LogP1.16
Rot. Bonds3

About 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 114159062) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID114159062
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESNS(=O)(=O)c1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)10(5-6-10)16-9(17)7-1-3-8(4-2-7)20(15,18)19/h1-4H,5-6H2,(H,16,17)(H2,15,18,19)
InChIKeyKGWOJURDEQTVAP-UHFFFAOYSA-N
XLogP1.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106213729
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
3-hydroxy-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159047
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208285
N-(hydrazinecarbonyl)-4-sulfamoylbenzamide
CID 91621577
3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213462
4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
CID 53308643
3-bromo-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213459
3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide
CID 106214896
4-[2-[(3-chloro-5-sulfamoylphenyl)methylamino]-4-[[1-(trifluoromethyl)cyclopropyl]amino]pyrido[3,2-d]pyrimidin-6-yl]-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 44622555
5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 106219411

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 114159062) is 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is NS(=O)(=O)c1ccc(C(=O)NC2(C(F)(F)F)CC2)cc1.
What is the InChIKey of 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is KGWOJURDEQTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c12-11(13,14)10(5-6-10)16-9(17)7-1-3-8(4-2-7)20(15,18)19/h1-4H,5-6H2,(H,16,17)(H2,15,18,19).
What are the key properties of 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 308.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 114159062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).