2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide

C17H14ClF3N2O3S — CID 26965393

IUPAC2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF3N2O3S/c18-13-8-5-10(17(19,20)21)9-15(13)27(25,26)23-14-4-2-1-3-12(14)16(24)22-11-6-7-11/h1-5,8-9,11,23H,6-7H2,(H,22,24)
InChIKeyJBDSEAYBHLPAAF-UHFFFAOYSA-N
MW418.82 g/mol
LogP4.05
Rot. Bonds5

About 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide

2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide (PubChem CID 26965393) has the molecular formula C17H14ClF3N2O3S and a molecular weight of 418.82 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
PubChem CID26965393
Molecular FormulaC17H14ClF3N2O3S
Molecular Weight418.82 g/mol
Exact Mass418.04
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF3N2O3S/c18-13-8-5-10(17(19,20)21)9-15(13)27(25,26)23-14-4-2-1-3-12(14)16(24)22-11-6-7-11/h1-5,8-9,11,23H,6-7H2,(H,22,24)
InChIKeyJBDSEAYBHLPAAF-UHFFFAOYSA-N
XLogP4.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 2447925
2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide
CID 8841202
N-[4-(anilinomethyl)cyclohexyl]-2-chloro-5-(trifluoromethyl)benzamide
CID 59186865
[2-(cyclopropylamino)-2-oxoethyl] 2-[(2,5-dichlorophenyl)sulfonylamino]benzoate
CID 2544477
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
4-chloro-3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214869
[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]methyl trifluoromethanesulfonate
CID 86656575
2-[(3-chloro-4-cyanophenyl)sulfonylamino]-N-cyclopropylbenzamide
CID 87026587
2-chloro-N-cyclohexyl-5-(2-fluoropropan-2-yl)benzamide
CID 167056111
fluoro 2-[4-[[2-chloro-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]-1,1-difluoroethanesulfonate
CID 87301295
[2-(cyclopropylamino)-2-oxoethyl] 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]acetate
CID 2097178
N-cyclopropyl-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 7938855

Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide (CID 26965393) is 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide?
The InChIKey is JBDSEAYBHLPAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O3S/c18-13-8-5-10(17(19,20)21)9-15(13)27(25,26)23-14-4-2-1-3-12(14)16(24)22-11-6-7-11/h1-5,8-9,11,23H,6-7H2,(H,22,24).
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide?
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide has a molecular weight of 418.82 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide is sourced from PubChem (CID 26965393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).