2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide

C11H16ClN3O3S — CID 47298920

IUPAC2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H16ClN3O3S/c1-3-6-15(8-11(16)13-2)19(17,18)9-4-5-10(12)14-7-9/h4-5,7H,3,6,8H2,1-2H3,(H,13,16)
InChIKeyJFZSHNQHHDCCBH-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.88
Rot. Bonds6

About 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide

2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide (PubChem CID 47298920) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
PubChem CID47298920
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H16ClN3O3S/c1-3-6-15(8-11(16)13-2)19(17,18)9-4-5-10(12)14-7-9/h4-5,7H,3,6,8H2,1-2H3,(H,13,16)
InChIKeyJFZSHNQHHDCCBH-UHFFFAOYSA-N
XLogP0.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide
CID 54985267
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
2-[[4-(2-chloroethyl)phenyl]sulfonyl-propylamino]-N-methylacetamide
CID 61042103
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046163
2-[(4-bromo-3-fluorophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 103697437
2-[(2-chloro-4-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 61053217
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-ethylamino]-N-methylacetamide
CID 64608953
CID 174467940
CID 174467940
2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-propylamino]-N-methylacetamide
CID 61046346
2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 103989150
2-[(2-carbamothioyl-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide
CID 106596962
N-methyl-2-[methylsulfonyl(propyl)amino]acetamide
CID 52698039

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide (CID 47298920) is 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide?
The InChIKey is JFZSHNQHHDCCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-3-6-15(8-11(16)13-2)19(17,18)9-4-5-10(12)14-7-9/h4-5,7H,3,6,8H2,1-2H3,(H,13,16).
What are the key properties of 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide?
2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide has a molecular weight of 305.79 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)sulfonyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 47298920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).