N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide

C19H18ClF3N2O3S — CID 92645790

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N2O3S/c20-13-4-9-17(16(11-13)19(21,22)23)24-18(26)10-3-12-1-7-15(8-2-12)29(27,28)25-14-5-6-14/h1-2,4,7-9,11,14,25H,3,5-6,10H2,(H,24,26)
InChIKeyJZRNYISXNZXDGG-UHFFFAOYSA-N
MW446.88 g/mol
LogP4.37
Rot. Bonds7

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide (PubChem CID 92645790) has the molecular formula C19H18ClF3N2O3S and a molecular weight of 446.88 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
PubChem CID92645790
Molecular FormulaC19H18ClF3N2O3S
Molecular Weight446.88 g/mol
Exact Mass446.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C19H18ClF3N2O3S/c20-13-4-9-17(16(11-13)19(21,22)23)24-18(26)10-3-12-1-7-15(8-2-12)29(27,28)25-14-5-6-14/h1-2,4,7-9,11,14,25H,3,5-6,10H2,(H,24,26)
InChIKeyJZRNYISXNZXDGG-UHFFFAOYSA-N
XLogP4.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45372513
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2,5-difluorophenyl)propanamide
CID 92645802
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 1296344
3-(4-chlorophenyl)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]propanamide
CID 33161073
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136419
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide
CID 55577808
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 28631937
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 110294989
N-(3-aminopropyl)-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119404968
3-[4-(cyclopropylsulfamoyl)phenyl]-N-[3-oxo-3-(propylamino)propyl]propanamide
CID 55977375

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide (CID 92645790) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide is O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide?
The InChIKey is JZRNYISXNZXDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3S/c20-13-4-9-17(16(11-13)19(21,22)23)24-18(26)10-3-12-1-7-15(8-2-12)29(27,28)25-14-5-6-14/h1-2,4,7-9,11,14,25H,3,5-6,10H2,(H,24,26).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide has a molecular weight of 446.88 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[4-(cyclopropylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 92645790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).