3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide

C10H15ClN2O2S — CID 79585711

IUPAC3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)c1cccnc1
InChIInChI=1S/C10H15ClN2O2S/c1-9(6-11)8-16(14,15)13(2)10-4-3-5-12-7-10/h3-5,7,9H,6,8H2,1-2H3
InChIKeyKFFBWPKAWGLMBS-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.72
Rot. Bonds5

About 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide

3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide (PubChem CID 79585711) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide
PubChem CID79585711
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)c1cccnc1
InChIInChI=1S/C10H15ClN2O2S/c1-9(6-11)8-16(14,15)13(2)10-4-3-5-12-7-10/h3-5,7,9H,6,8H2,1-2H3
InChIKeyKFFBWPKAWGLMBS-UHFFFAOYSA-N
XLogP1.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 79580450
N,2-dimethyl-N-phenylpropane-1-sulfonamide
CID 54465644
4-tert-butyl-N-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752641
3-chloro-4-(3-chloro-2-methylpropyl)sulfonylpyridine
CID 79840721
3-chloro-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 79580904
1-chloro-N-methyl-N-pyridin-4-ylmethanesulfonamide
CID 106936805
3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
CID 79580377
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
4-fluoro-N,3-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 110752600
N'-methyl-N-propan-2-yl-N'-pyridin-3-ylethane-1,2-diamine
CID 115206418
3-(2-methylpropylsulfonyl)pyridine
CID 166834776
3-chloro-N-(1-methoxypropan-2-yl)-N,2-dimethylpropane-1-sulfonamide
CID 79585562

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide (CID 79585711) is 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(C)c1cccnc1.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide?
The InChIKey is KFFBWPKAWGLMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-9(6-11)8-16(14,15)13(2)10-4-3-5-12-7-10/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide?
3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-pyridin-3-ylpropane-1-sulfonamide is sourced from PubChem (CID 79585711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).