3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide

C16H11ClF3N3O2S — CID 134367250

IUPAC3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide
SMILESN#Cc1nc(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cc2Cl)ccc1F
InChIInChI=1S/C16H11ClF3N3O2S/c17-12-5-10(26(24,25)23-9-6-16(19,20)7-9)1-2-11(12)14-4-3-13(18)15(8-21)22-14/h1-5,9,23H,6-7H2
InChIKeyLCIRHOWFAHDWGI-UHFFFAOYSA-N
MW401.80 g/mol
LogP3.49
Rot. Bonds4

About 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide

3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide (PubChem CID 134367250) has the molecular formula C16H11ClF3N3O2S and a molecular weight of 401.80 g/mol. Its IUPAC name is 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide
PubChem CID134367250
Molecular FormulaC16H11ClF3N3O2S
Molecular Weight401.80 g/mol
Exact Mass401.02
IUPAC Name3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide
SMILESN#Cc1nc(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cc2Cl)ccc1F
InChIInChI=1S/C16H11ClF3N3O2S/c17-12-5-10(26(24,25)23-9-6-16(19,20)7-9)1-2-11(12)14-4-3-13(18)15(8-21)22-14/h1-5,9,23H,6-7H2
InChIKeyLCIRHOWFAHDWGI-UHFFFAOYSA-N
XLogP3.49
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide with MolForge

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Related Compounds

3-chloro-N-[3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)phenyl]-4-fluorobenzenesulfonamide
CID 134367138
4-(6-cyano-5-fluoro-2-pyridinyl)-N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-3-methylbenzenesulfonamide
CID 134367363
6-[2-chloro-4-[(2S)-4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-3-fluoropyridine-2-carbonitrile
CID 134367355
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 134367091
3-chloro-N-[(1R)-1-cyanoethyl]-4-fluorobenzenesulfonamide
CID 97061579
6-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-methylphenyl]-3-fluoropyridine-2-carbonitrile
CID 134367146
3-cyano-N-(2,2-dimethylcyclopropyl)-4-fluorobenzenesulfonamide
CID 55172697
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(1,1-dioxothietan-3-yl)benzenesulfonamide
CID 134367193
N-(3,3-difluorocyclobutyl)-4-(6-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 171389649
4-(3-amino-1H-pyrazolo[4,3-b]pyridin-5-yl)-3-chloro-N-(3-hydroxycyclopentyl)benzenesulfonamide
CID 134367259
3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960586
3-[(3-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66031557

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide (CID 134367250) is 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide is N#Cc1nc(-c2ccc(S(=O)(=O)NC3CC(F)(F)C3)cc2Cl)ccc1F.
What is the InChIKey of 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
The InChIKey is LCIRHOWFAHDWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O2S/c17-12-5-10(26(24,25)23-9-6-16(19,20)7-9)1-2-11(12)14-4-3-13(18)15(8-21)22-14/h1-5,9,23H,6-7H2.
What are the key properties of 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide?
3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide has a molecular weight of 401.80 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(6-cyano-5-fluoro-2-pyridinyl)-N-(3,3-difluorocyclobutyl)benzenesulfonamide is sourced from PubChem (CID 134367250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).