4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide

C19H22ClN3O2S — CID 113024995

IUPAC4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCC2=CCCCC2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2S/c20-16-6-9-18(10-7-16)26(24,25)23-19-11-8-17(14-22-19)21-13-12-15-4-2-1-3-5-15/h4,6-11,14,21H,1-3,5,12-13H2,(H,22,23)
InChIKeyHWVBNBMVMSLDEP-UHFFFAOYSA-N
MW391.92 g/mol
LogP4.84
Rot. Bonds7

About 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide

4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide (PubChem CID 113024995) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
PubChem CID113024995
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC Name4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCCC2=CCCCC2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C19H22ClN3O2S/c20-16-6-9-18(10-7-16)26(24,25)23-19-11-8-17(14-22-19)21-13-12-15-4-2-1-3-5-15/h4,6-11,14,21H,1-3,5,12-13H2,(H,22,23)
InChIKeyHWVBNBMVMSLDEP-UHFFFAOYSA-N
XLogP4.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzenesulfonamide
CID 113027143
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 113039369
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113010296
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113027303
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
N-[6-[2-(cyclohexen-1-yl)ethylamino]pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113039373
N-[6-[2-(cyclohexen-1-yl)ethylamino]-3-pyridinyl]-3,4-difluorobenzamide
CID 113010267
ethyl N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]carbamate
CID 113024981
N-(4-chlorophenyl)-4-[2-(cyclohexen-1-yl)ethylamino]pyridine-2-carboxamide
CID 109205612
4-chloro-N-[5-(hydroxymethyl)-2-pyridinyl]benzenesulfonamide
CID 82343403

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide (CID 113024995) is 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(NCCC2=CCCCC2)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide?
The InChIKey is HWVBNBMVMSLDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c20-16-6-9-18(10-7-16)26(24,25)23-19-11-8-17(14-22-19)21-13-12-15-4-2-1-3-5-15/h4,6-11,14,21H,1-3,5,12-13H2,(H,22,23).
What are the key properties of 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide?
4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide has a molecular weight of 391.92 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[2-(cyclohexen-1-yl)ethylamino]-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113024995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).