6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide

C9H11ClN2O2S — CID 115634619

IUPAC6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C9H11ClN2O2S/c1-9(4-5-9)12-15(13,14)7-2-3-8(10)11-6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyYBPOEWXTIPNASW-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.57
Rot. Bonds3

About 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide

6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide (PubChem CID 115634619) has the molecular formula C9H11ClN2O2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
PubChem CID115634619
Molecular FormulaC9H11ClN2O2S
Molecular Weight246.72 g/mol
Exact Mass246.02
IUPAC Name6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2ccc(Cl)nc2)CC1
InChIInChI=1S/C9H11ClN2O2S/c1-9(4-5-9)12-15(13,14)7-2-3-8(10)11-6-7/h2-3,6,12H,4-5H2,1H3
InChIKeyYBPOEWXTIPNASW-UHFFFAOYSA-N
XLogP1.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(methylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 62158085
6-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163440
6-chloro-N-[(1-methylsulfanylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 107271026
4-[(1-methylcyclobutyl)sulfamoyl]benzenesulfonyl chloride
CID 113485497
6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide
CID 114613753
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 114629375
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
6-chloro-N-[3-[(6-chloro-3-pyridinyl)sulfonylamino]propyl]pyridine-3-sulfonamide
CID 4729949
6-chloro-N-(2-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 90954115
N-(1-methylcyclopropyl)thieno[2,3-b]pyridine-5-sulfonamide
CID 146108460
N-(1-methylcyclopropyl)quinazoline-6-sulfonamide
CID 176943922
2-chloro-N-(4-methyloxan-4-yl)pyridine-4-sulfonamide
CID 113491040

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide (CID 115634619) is 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide is CC1(NS(=O)(=O)c2ccc(Cl)nc2)CC1.
What is the InChIKey of 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide?
The InChIKey is YBPOEWXTIPNASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S/c1-9(4-5-9)12-15(13,14)7-2-3-8(10)11-6-7/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide?
6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide has a molecular weight of 246.72 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylcyclopropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115634619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).