N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide

C12H19ClN2O2S — CID 107158011

IUPACN-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CC(Cl)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H19ClN2O2S/c1-12(2,3)7-10(13)8-15-18(16,17)11-5-4-6-14-9-11/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyOXNGFBWRXNAUMM-UHFFFAOYSA-N
MW290.82 g/mol
LogP2.40
Rot. Bonds5

About N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide

N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide (PubChem CID 107158011) has the molecular formula C12H19ClN2O2S and a molecular weight of 290.82 g/mol. Its IUPAC name is N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
PubChem CID107158011
Molecular FormulaC12H19ClN2O2S
Molecular Weight290.82 g/mol
Exact Mass290.09
IUPAC NameN-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide
SMILESCC(C)(C)CC(Cl)CNS(=O)(=O)c1cccnc1
InChIInChI=1S/C12H19ClN2O2S/c1-12(2,3)7-10(13)8-15-18(16,17)11-5-4-6-14-9-11/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyOXNGFBWRXNAUMM-UHFFFAOYSA-N
XLogP2.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.82
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethyl-1-pyridin-3-ylbutyl)pyridine-3-sulfonamide
CID 131899465
N-(3-amino-2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 115365958
N-(2-amino-2-methylpropyl)pyridine-3-sulfonamide
CID 115303456
N-[2-(diethylamino)propyl]pyridine-3-sulfonamide
CID 60548624
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
N-propylpyridine-3-sulfonamide
CID 43258995
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932
N-(4-bromo-2-ethylbutyl)pyridine-3-sulfonamide
CID 114298822
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021
N-[2-(4-aminophenyl)-2-hydroxyethyl]pyridine-3-sulfonamide
CID 43461535
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 90523077

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide?
The IUPAC name of N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide (CID 107158011) is N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide is CC(C)(C)CC(Cl)CNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide?
The InChIKey is OXNGFBWRXNAUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O2S/c1-12(2,3)7-10(13)8-15-18(16,17)11-5-4-6-14-9-11/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide?
N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide has a molecular weight of 290.82 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,4-dimethylpentyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107158011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).