N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide

C18H23N3O3S — CID 113024551

IUPACN-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCC3)cn2)cc1
InChIInChI=1S/C18H23N3O3S/c1-2-24-16-8-10-17(11-9-16)25(22,23)21-18-12-7-15(13-19-18)20-14-5-3-4-6-14/h7-14,20H,2-6H2,1H3,(H,19,21)
InChIKeyMKOLLLVNONIZKE-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.64
Rot. Bonds7

About N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide

N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide (PubChem CID 113024551) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
PubChem CID113024551
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCC3)cn2)cc1
InChIInChI=1S/C18H23N3O3S/c1-2-24-16-8-10-17(11-9-16)25(22,23)21-18-12-7-15(13-19-18)20-14-5-3-4-6-14/h7-14,20H,2-6H2,1H3,(H,19,21)
InChIKeyMKOLLLVNONIZKE-UHFFFAOYSA-N
XLogP3.64
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(cyclopentylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024552
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
N-[5-(cycloheptylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113030160
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765
4-ethoxy-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030370
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
N-[5-(cyclopentylamino)-2-pyridinyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113024520
N-[5-(cyclopentylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113024541
N-[5-(2,4-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032010
N-[5-(cycloheptylamino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113030177

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide (CID 113024551) is N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(NC3CCCC3)cn2)cc1.
What is the InChIKey of N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide?
The InChIKey is MKOLLLVNONIZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-2-24-16-8-10-17(11-9-16)25(22,23)21-18-12-7-15(13-19-18)20-14-5-3-4-6-14/h7-14,20H,2-6H2,1H3,(H,19,21).
What are the key properties of N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide?
N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopentylamino)-2-pyridinyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 113024551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).