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

C12H17ClN2O3S — CID 2188671

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-3-8-14-12(16)9-15(2)19(17,18)11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyHRJQWUZZVBHDBR-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.49
Rot. Bonds6

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

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide (PubChem CID 2188671) has the molecular formula C12H17ClN2O3S and a molecular weight of 304.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
PubChem CID2188671
Molecular FormulaC12H17ClN2O3S
Molecular Weight304.80 g/mol
Exact Mass304.06
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H17ClN2O3S/c1-3-8-14-12(16)9-15(2)19(17,18)11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyHRJQWUZZVBHDBR-UHFFFAOYSA-N
XLogP1.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-hydroxyethyl)acetamide
CID 2173859
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100796959
2-[(4-carbamothioylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 61452669
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 94876787
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(methylamino)propyl]acetamide
CID 120828067
3-[[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249274
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
CID 7370786
N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2583856
N-[(2-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 2173194
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 41365054
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 55614997

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide (CID 2188671) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide?
The InChIKey is HRJQWUZZVBHDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3S/c1-3-8-14-12(16)9-15(2)19(17,18)11-6-4-10(13)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-propylacetamide has a molecular weight of 304.80 g/mol, XLogP of 1.49, 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-propylacetamide is sourced from PubChem (CID 2188671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).