2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide

C12H15ClN2O3S — CID 1331562

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3S/c1-15(8-12(16)14-10-4-5-10)19(17,18)11-6-2-9(13)3-7-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,16)
InChIKeyJNPUUKAHRSEACA-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.24
Rot. Bonds5

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

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 1331562) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID1331562
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3S/c1-15(8-12(16)14-10-4-5-10)19(17,18)11-6-2-9(13)3-7-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,16)
InChIKeyJNPUUKAHRSEACA-UHFFFAOYSA-N
XLogP1.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 1331562) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is JNPUUKAHRSEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-15(8-12(16)14-10-4-5-10)19(17,18)11-6-2-9(13)3-7-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,16).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 302.78 g/mol, XLogP of 1.24, 5 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-cyclopropylacetamide is sourced from PubChem (CID 1331562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).