2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

C12H17ClN2O3S — CID 7370786

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyFTPKIZVLVNINAP-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.49
Rot. Bonds5

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

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 7370786) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
PubChem CID7370786
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyFTPKIZVLVNINAP-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 26714215
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26085188
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 4694815
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide
CID 120828067
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26618752
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 132660114
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]acetamide
CID 100526151
2-[(3-chloro-4-cyanophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 115582147
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2188671
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 2173859
N-(2-amino-1-cyclohexylethyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide;hydrochloride
CID 119589855

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (CID 7370786) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is FTPKIZVLVNINAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 304.80 g/mol, XLogP of 1.49, 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-propan-2-ylacetamide is sourced from PubChem (CID 7370786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).