N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

C17H20FN3O2S — CID 113024523

IUPACN-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC3CCCC3)cn2)ccc1F
InChIInChI=1S/C17H20FN3O2S/c1-12-10-15(7-8-16(12)18)24(22,23)21-17-9-6-14(11-19-17)20-13-4-2-3-5-13/h6-11,13,20H,2-5H2,1H3,(H,19,21)
InChIKeyAPACRAUINUDWFC-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.68
Rot. Bonds5

About N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 113024523) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID113024523
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC NameN-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(NC3CCCC3)cn2)ccc1F
InChIInChI=1S/C17H20FN3O2S/c1-12-10-15(7-8-16(12)18)24(22,23)21-17-9-6-14(11-19-17)20-13-4-2-3-5-13/h6-11,13,20H,2-5H2,1H3,(H,19,21)
InChIKeyAPACRAUINUDWFC-UHFFFAOYSA-N
XLogP3.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113030160
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113024551
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (CID 113024523) is N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(NC3CCCC3)cn2)ccc1F.
What is the InChIKey of N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is APACRAUINUDWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-12-10-15(7-8-16(12)18)24(22,23)21-17-9-6-14(11-19-17)20-13-4-2-3-5-13/h6-11,13,20H,2-5H2,1H3,(H,19,21).
What are the key properties of N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 113024523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).