2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide

C12H19ClN2O3S — CID 61247710

IUPAC2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H19ClN2O3S/c1-10(2)9-18-7-3-5-15-19(16,17)11-4-6-14-12(13)8-11/h4,6,8,10,15H,3,5,7,9H2,1-2H3
InChIKeyGZLBSEQWWWERAI-UHFFFAOYSA-N
MW306.81 g/mol
LogP2.08
Rot. Bonds8

About 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide

2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide (PubChem CID 61247710) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
PubChem CID61247710
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
SMILESCC(C)COCCCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H19ClN2O3S/c1-10(2)9-18-7-3-5-15-19(16,17)11-4-6-14-12(13)8-11/h4,6,8,10,15H,3,5,7,9H2,1-2H3
InChIKeyGZLBSEQWWWERAI-UHFFFAOYSA-N
XLogP2.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
3-(aminomethyl)-4-methyl-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 106000024
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
N-[3-(2-methylpropoxy)propyl]-4-nitrobenzenesulfonamide
CID 26544689
2-amino-N-(3-propoxypropyl)pyridine-4-sulfonamide
CID 82946971
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006
2-chloro-5-cyano-N-[3-(2-methylpropoxy)propyl]benzenesulfonamide
CID 104918532

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide (CID 61247710) is 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide is CC(C)COCCCNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide?
The InChIKey is GZLBSEQWWWERAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-10(2)9-18-7-3-5-15-19(16,17)11-4-6-14-12(13)8-11/h4,6,8,10,15H,3,5,7,9H2,1-2H3.
What are the key properties of 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide?
2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide has a molecular weight of 306.81 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide is sourced from PubChem (CID 61247710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).