1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide

C16H12ClF3N2O3S — CID 67043751

IUPAC1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H12ClF3N2O3S/c17-11-2-4-12(5-3-11)26(24,25)15(7-8-15)14(23)22-13-6-1-10(9-21-13)16(18,19)20/h1-6,9H,7-8H2,(H,21,22,23)
InChIKeyWPIHNIXTYUPTQX-UHFFFAOYSA-N
MW404.80 g/mol
LogP3.70
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 67043751) has the molecular formula C16H12ClF3N2O3S and a molecular weight of 404.80 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID67043751
Molecular FormulaC16H12ClF3N2O3S
Molecular Weight404.80 g/mol
Exact Mass404.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H12ClF3N2O3S/c17-11-2-4-12(5-3-11)26(24,25)15(7-8-15)14(23)22-13-6-1-10(9-21-13)16(18,19)20/h1-6,9H,7-8H2,(H,21,22,23)
InChIKeyWPIHNIXTYUPTQX-UHFFFAOYSA-N
XLogP3.70
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.80
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 15989037
1-(4-chlorophenyl)sulfonyl-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 5189805
N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
CID 15999936
1-(4-chlorophenyl)sulfonyl-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 15993585
2-[(6-chloro-3-pyridinyl)sulfonyl]-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 24855875
1-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)cyclopropane-1-carboxamide
CID 2318019
N-(6-amino-3-pyridinyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide
CID 119515163
1-(4-methylphenyl)sulfonyl-N-(5-nitro-2-pyridinyl)cyclopropane-1-carboxamide
CID 4640475
3,5-dichloro-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 44586063
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
2-methyl-2-propan-2-ylsulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 59703999
2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 24855970

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 67043751) is 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is WPIHNIXTYUPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N2O3S/c17-11-2-4-12(5-3-11)26(24,25)15(7-8-15)14(23)22-13-6-1-10(9-21-13)16(18,19)20/h1-6,9H,7-8H2,(H,21,22,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 404.80 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[5-(trifluoromethyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67043751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).