4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide

C9H13ClN2O4S2 — CID 64629810

IUPAC4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C9H13ClN2O4S2/c1-7(6-17(2,13)14)12-18(15,16)9-5-11-4-3-8(9)10/h3-5,7,12H,6H2,1-2H3
InChIKeyDEWMJNWAANHMSA-UHFFFAOYSA-N
MW312.80 g/mol
LogP0.45
Rot. Bonds5

About 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide

4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide (PubChem CID 64629810) has the molecular formula C9H13ClN2O4S2 and a molecular weight of 312.80 g/mol. Its IUPAC name is 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide
PubChem CID64629810
Molecular FormulaC9H13ClN2O4S2
Molecular Weight312.80 g/mol
Exact Mass312.00
IUPAC Name4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide
SMILESCC(CS(C)(=O)=O)NS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C9H13ClN2O4S2/c1-7(6-17(2,13)14)12-18(15,16)9-5-11-4-3-8(9)10/h3-5,7,12H,6H2,1-2H3
InChIKeyDEWMJNWAANHMSA-UHFFFAOYSA-N
XLogP0.45
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide
CID 105061056
4-chloro-N-octylpyridine-3-sulfonamide
CID 113337153
N-(1-methylsulfonylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693096
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 104940865
4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
CID 64630420
3-chloro-4-(3-chloro-2-methylpropyl)sulfonylpyridine
CID 79840721
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide
CID 106336289
2-amino-4-bromo-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64629578
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
CID 104940855
4-chloro-N-[3-(diethylamino)propyl]pyridine-3-sulfonamide
CID 15154305
N-(4-methoxybutan-2-yl)-4-(methylamino)pyridine-3-sulfonamide
CID 64605130
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
CID 114983838

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide (CID 64629810) is 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide is CC(CS(C)(=O)=O)NS(=O)(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is DEWMJNWAANHMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O4S2/c1-7(6-17(2,13)14)12-18(15,16)9-5-11-4-3-8(9)10/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide?
4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 312.80 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64629810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).