4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide

C9H14ClN3O4S2 — CID 106336289

IUPAC4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C9H14ClN3O4S2/c1-13(2)18(14,15)6-5-12-19(16,17)9-7-11-4-3-8(9)10/h3-4,7,12H,5-6H2,1-2H3
InChIKeyDXWKMFPYVVRBMT-UHFFFAOYSA-N
MW327.82 g/mol
LogP-0.10
Rot. Bonds6

About 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide

4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide (PubChem CID 106336289) has the molecular formula C9H14ClN3O4S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide
PubChem CID106336289
Molecular FormulaC9H14ClN3O4S2
Molecular Weight327.82 g/mol
Exact Mass327.01
IUPAC Name4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C9H14ClN3O4S2/c1-13(2)18(14,15)6-5-12-19(16,17)9-7-11-4-3-8(9)10/h3-4,7,12H,5-6H2,1-2H3
InChIKeyDXWKMFPYVVRBMT-UHFFFAOYSA-N
XLogP-0.10
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-octylpyridine-3-sulfonamide
CID 113337153
4-chloro-N-[3-(diethylamino)propyl]pyridine-3-sulfonamide
CID 15154305
3-amino-2,4-dichloro-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333613
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
5-amino-2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106333642
4-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64531519
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
CID 104940855
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
CID 104940865
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]benzenesulfonamide
CID 106335927
4-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-sulfonamide
CID 106396376
N-[2-(dimethylsulfamoyl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106342326
N-[2-(dimethylsulfamoyl)ethyl]-3-fluoropyridine-2-sulfonamide
CID 114175143

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide (CID 106336289) is 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is DXWKMFPYVVRBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O4S2/c1-13(2)18(14,15)6-5-12-19(16,17)9-7-11-4-3-8(9)10/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide?
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 327.82 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106336289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).