4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide

C18H15F4N3O3S — CID 134367363

IUPAC4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(O)(C(F)(F)F)C2)ccc1-c1ccc(F)c(C#N)n1
InChIInChI=1S/C18H15F4N3O3S/c1-10-6-12(2-3-13(10)15-5-4-14(19)16(9-23)24-15)29(27,28)25-11-7-17(26,8-11)18(20,21)22/h2-6,11,25-26H,7-8H2,1H3
InChIKeyHSPOCZRDDVSZCX-UHFFFAOYSA-N
MW429.40 g/mol
LogP2.80
Rot. Bonds4

About 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide

4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide (PubChem CID 134367363) has the molecular formula C18H15F4N3O3S and a molecular weight of 429.40 g/mol. Its IUPAC name is 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide
PubChem CID134367363
Molecular FormulaC18H15F4N3O3S
Molecular Weight429.40 g/mol
Exact Mass429.08
IUPAC Name4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(O)(C(F)(F)F)C2)ccc1-c1ccc(F)c(C#N)n1
InChIInChI=1S/C18H15F4N3O3S/c1-10-6-12(2-3-13(10)15-5-4-14(19)16(9-23)24-15)29(27,28)25-11-7-17(26,8-11)18(20,21)22/h2-6,11,25-26H,7-8H2,1H3
InChIKeyHSPOCZRDDVSZCX-UHFFFAOYSA-N
XLogP2.80
TPSA103.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 134367250
6-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-methylphenyl]-3-fluoropyridine-2-carbonitrile
CID 134367146
3-chloro-N-[3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)phenyl]-4-fluorobenzenesulfonamide
CID 134367138
6-[2-chloro-4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-3-fluoropyridine-2-carbonitrile
CID 134367355
3-cyano-N-(2,2-dimethylcyclopropyl)-4-fluorobenzenesulfonamide
CID 55172697
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 171389649
4-cyano-N-cyclopent-3-en-1-yl-3-methylbenzenesulfonamide
CID 106833491
N-(4-hydroxycyclohexyl)-3-methyl-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 45278732
4-(3-amino-4-methyl-1H-indazol-5-yl)-N-(3-ethyl-3-hydroxycyclobutyl)-3-methylbenzenesulfonamide
CID 134362264
4-amino-3-fluoro-N-(4-methylcyclohexyl)benzenesulfonamide
CID 82843999
3-cyano-4-fluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzenesulfonamide
CID 71870926
4-cyano-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylbenzenesulfonamide
CID 106833631

Frequently Asked Questions

What is the IUPAC name of 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide (CID 134367363) is 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CC(O)(C(F)(F)F)C2)ccc1-c1ccc(F)c(C#N)n1.
What is the InChIKey of 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide?
The InChIKey is HSPOCZRDDVSZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3O3S/c1-10-6-12(2-3-13(10)15-5-4-14(19)16(9-23)24-15)29(27,28)25-11-7-17(26,8-11)18(20,21)22/h2-6,11,25-26H,7-8H2,1H3.
What are the key properties of 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide?
4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide has a molecular weight of 429.40 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 134367363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).