N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide

C14H12ClF3N2O2S — CID 3667629

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H12ClF3N2O2S/c15-13-5-4-11(9-12(13)14(16,17)18)20-23(21,22)8-6-10-3-1-2-7-19-10/h1-5,7,9,20H,6,8H2
InChIKeyRBJJNFZKCSXNHW-UHFFFAOYSA-N
MW364.78 g/mol
LogP3.74
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 3667629) has the molecular formula C14H12ClF3N2O2S and a molecular weight of 364.78 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID3667629
Molecular FormulaC14H12ClF3N2O2S
Molecular Weight364.78 g/mol
Exact Mass364.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
SMILESO=S(=O)(CCc1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H12ClF3N2O2S/c15-13-5-4-11(9-12(13)14(16,17)18)20-23(21,22)8-6-10-3-1-2-7-19-10/h1-5,7,9,20H,6,8H2
InChIKeyRBJJNFZKCSXNHW-UHFFFAOYSA-N
XLogP3.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 64786737
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide
CID 141052646
N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 22201682
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
CID 62909121
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
CID 108999180
N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(pyridin-2-ylmethylamino)propanamide
CID 109023445
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
4-chloro-N-pyrimidin-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 75505555
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976751
2-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112893269

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide (CID 3667629) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide is O=S(=O)(CCc1ccccn1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is RBJJNFZKCSXNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N2O2S/c15-13-5-4-11(9-12(13)14(16,17)18)20-23(21,22)8-6-10-3-1-2-7-19-10/h1-5,7,9,20H,6,8H2.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 364.78 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 3667629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).