1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C17H13ClF3NO3S — CID 15989037

IUPAC1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H13ClF3NO3S/c18-11-5-7-12(8-6-11)26(24,25)16(9-10-16)15(23)22-14-4-2-1-3-13(14)17(19,20)21/h1-8H,9-10H2,(H,22,23)
InChIKeyDJHFFAYPZBXMNB-UHFFFAOYSA-N
MW403.81 g/mol
LogP4.30
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 15989037) has the molecular formula C17H13ClF3NO3S and a molecular weight of 403.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID15989037
Molecular FormulaC17H13ClF3NO3S
Molecular Weight403.81 g/mol
Exact Mass403.03
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H13ClF3NO3S/c18-11-5-7-12(8-6-11)26(24,25)16(9-10-16)15(23)22-14-4-2-1-3-13(14)17(19,20)21/h1-8H,9-10H2,(H,22,23)
InChIKeyDJHFFAYPZBXMNB-UHFFFAOYSA-N
XLogP4.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
CID 15999936
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)cyclopentane-1-carboxamide
CID 51277668
1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198387
1-(4-chlorophenyl)sulfonyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]cyclopentane-1-carboxamide
CID 55970560
1-(4-chlorophenyl)sulfonyl-N-(2-ethoxyphenyl)cyclopentane-1-carboxamide
CID 41486617
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 2204915
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 5189805
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 19220927
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 15993585
1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81167254

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 15989037) is 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1ccccc1C(F)(F)F)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is DJHFFAYPZBXMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO3S/c18-11-5-7-12(8-6-11)26(24,25)16(9-10-16)15(23)22-14-4-2-1-3-13(14)17(19,20)21/h1-8H,9-10H2,(H,22,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 403.81 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 15989037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).