N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

C24H22FN3O3S — CID 23218040

IUPACN-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCC1CCCC1
InChIInChI=1S/C24H22FN3O3S/c25-20-12-10-18(11-13-20)23-22(28-32(29,30)21-8-2-1-3-9-21)14-19(15-26)24(27-23)31-16-17-6-4-5-7-17/h1-3,8-14,17,28H,4-7,16H2
InChIKeyQJUWHXXXWHFRHA-UHFFFAOYSA-N
MW451.52 g/mol
LogP5.13
Rot. Bonds7

About N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide

N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (PubChem CID 23218040) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
PubChem CID23218040
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC NameN-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCC1CCCC1
InChIInChI=1S/C24H22FN3O3S/c25-20-12-10-18(11-13-20)23-22(28-32(29,30)21-8-2-1-3-9-21)14-19(15-26)24(27-23)31-16-17-6-4-5-7-17/h1-3,8-14,17,28H,4-7,16H2
InChIKeyQJUWHXXXWHFRHA-UHFFFAOYSA-N
XLogP5.13
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.52
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23217928
N-[5-cyano-6-fluoro-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23218003
N-[5-cyano-2-(4-fluorophenyl)-6-(furan-3-ylmethylsulfanyl)-3-pyridinyl]benzenesulfonamide
CID 23217962
N-[6-butoxy-5-cyano-2-(3-methylphenyl)-3-pyridinyl]benzenesulfonamide
CID 23217980
N-[3-(cyclopentylmethoxy)quinoxalin-2-yl]-4-methylbenzenesulfonamide
CID 23075817
N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 126793474
4-[[5-cyano-4-(cyclopentylmethoxy)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167090124
N-(2-cyanophenyl)benzenesulfonamide
CID 736007
N-[2-(4-cyano-3-fluorophenyl)phenyl]-4-methoxybenzenesulfonamide
CID 122184518
5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile
CID 67580976
5-[2-(cyclohexylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile
CID 67579735
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide (CID 23218040) is N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is N#Cc1cc(NS(=O)(=O)c2ccccc2)c(-c2ccc(F)cc2)nc1OCC1CCCC1.
What is the InChIKey of N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is QJUWHXXXWHFRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c25-20-12-10-18(11-13-20)23-22(28-32(29,30)21-8-2-1-3-9-21)14-19(15-26)24(27-23)31-16-17-6-4-5-7-17/h1-3,8-14,17,28H,4-7,16H2.
What are the key properties of N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide?
N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 451.52 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 23218040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).