2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide

C12H15ClN2O3S — CID 2585406

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3S/c1-3-8-14-12(16)9-15(2)19(17,18)11-6-4-10(13)5-7-11/h3-7H,1,8-9H2,2H3,(H,14,16)
InChIKeyMTOGYBVQBQICDF-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.26
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide (PubChem CID 2585406) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide
PubChem CID2585406
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3S/c1-3-8-14-12(16)9-15(2)19(17,18)11-6-4-10(13)5-7-11/h3-7H,1,8-9H2,2H3,(H,14,16)
InChIKeyMTOGYBVQBQICDF-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide (CID 2585406) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide?
The InChIKey is MTOGYBVQBQICDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-3-8-14-12(16)9-15(2)19(17,18)11-6-4-10(13)5-7-11/h3-7H,1,8-9H2,2H3,(H,14,16).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide has a molecular weight of 302.78 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 2585406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).