4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide

C16H20ClN3O2S — CID 113030458

IUPAC4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H20ClN3O2S/c1-2-3-4-11-18-14-7-10-16(19-12-14)20-23(21,22)15-8-5-13(17)6-9-15/h5-10,12,18H,2-4,11H2,1H3,(H,19,20)
InChIKeyRBEMLNHLWHCDBY-UHFFFAOYSA-N
MW353.88 g/mol
LogP4.14
Rot. Bonds8

About 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide

4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113030458) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
PubChem CID113030458
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C16H20ClN3O2S/c1-2-3-4-11-18-14-7-10-16(19-12-14)20-23(21,22)15-8-5-13(17)6-9-15/h5-10,12,18H,2-4,11H2,1H3,(H,19,20)
InChIKeyRBEMLNHLWHCDBY-UHFFFAOYSA-N
XLogP4.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
4-chloro-N-[5-(3-methylbutylamino)-2-pyridinyl]benzenesulfonamide
CID 113030332
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
N-[4-(butylamino)phenyl]-4-chlorobenzenesulfonamide
CID 112980277
N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024078
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzamide
CID 113030423
5-methyl-N-[5-(pentylamino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113030482
4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
CID 113024995
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide (CID 113030458) is 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide is CCCCCNc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is RBEMLNHLWHCDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-2-3-4-11-18-14-7-10-16(19-12-14)20-23(21,22)15-8-5-13(17)6-9-15/h5-10,12,18H,2-4,11H2,1H3,(H,19,20).
What are the key properties of 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide?
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 353.88 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113030458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).