2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide

C11H17ClN2O2S — CID 61046913

IUPAC2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-9(2)5-3-8-14-17(15,16)10-6-4-7-13-11(10)12/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeyJRSVPNLXRWUCEZ-UHFFFAOYSA-N
MW276.79 g/mol
LogP2.45
Rot. Bonds6

About 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide

2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide (PubChem CID 61046913) has the molecular formula C11H17ClN2O2S and a molecular weight of 276.79 g/mol. Its IUPAC name is 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
PubChem CID61046913
Molecular FormulaC11H17ClN2O2S
Molecular Weight276.79 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C11H17ClN2O2S/c1-9(2)5-3-8-14-17(15,16)10-6-4-7-13-11(10)12/h4,6-7,9,14H,3,5,8H2,1-2H3
InChIKeyJRSVPNLXRWUCEZ-UHFFFAOYSA-N
XLogP2.45
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpentyl)-2-(propylamino)pyridine-3-sulfonamide
CID 63003516
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-sulfonamide
CID 103883843
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
CID 61250348
(2S)-4-[(2-chloro-3-pyridinyl)sulfonylamino]-2-hydroxybutanoic acid
CID 104934121
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
CID 61217770
2-chloro-N-(2-methylsulfinylpropyl)pyridine-3-sulfonamide
CID 115763694
2-chloro-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 115650670
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
ethyl 3-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 55207055
3-amino-2-methyl-N-(4-methylpentyl)benzenesulfonamide
CID 61126637

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide (CID 61046913) is 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide is CC(C)CCCNS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide?
The InChIKey is JRSVPNLXRWUCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2S/c1-9(2)5-3-8-14-17(15,16)10-6-4-7-13-11(10)12/h4,6-7,9,14H,3,5,8H2,1-2H3.
What are the key properties of 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide?
2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide has a molecular weight of 276.79 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methylpentyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61046913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).