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

C9H14ClN3O4S2 — CID 106336285

IUPAC2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H14ClN3O4S2/c1-13(2)18(14,15)6-5-12-19(16,17)8-3-4-11-9(10)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyDQUBOIZIZDPGLV-UHFFFAOYSA-N
MW327.82 g/mol
LogP-0.10
Rot. Bonds6

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

2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide (PubChem CID 106336285) has the molecular formula C9H14ClN3O4S2 and a molecular weight of 327.82 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
PubChem CID106336285
Molecular FormulaC9H14ClN3O4S2
Molecular Weight327.82 g/mol
Exact Mass327.01
IUPAC Name2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
SMILESCN(C)S(=O)(=O)CCNS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C9H14ClN3O4S2/c1-13(2)18(14,15)6-5-12-19(16,17)8-3-4-11-9(10)7-8/h3-4,7,12H,5-6H2,1-2H3
InChIKeyDQUBOIZIZDPGLV-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

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
CID 106841570
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide
CID 62615784
2-chloro-N-[2-(dimethylamino)-3-ethylpentyl]pyridine-4-sulfonamide
CID 61250551
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
N-[2-(dimethylsulfamoyl)ethyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106342326
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
CID 61247710

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide (CID 106336285) is 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide is CN(C)S(=O)(=O)CCNS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide?
The InChIKey is DQUBOIZIZDPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O4S2/c1-13(2)18(14,15)6-5-12-19(16,17)8-3-4-11-9(10)7-8/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide?
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-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 2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide is sourced from PubChem (CID 106336285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).