2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide

C11H15ClN2O3S — CID 973230

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-13(2)11(15)8-14(3)18(16,17)10-6-4-9(12)5-7-10/h4-7H,8H2,1-3H3
InChIKeyHCIHVHNKAPAHQG-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.05
Rot. Bonds4

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

2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide (PubChem CID 973230) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
PubChem CID973230
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2O3S/c1-13(2)11(15)8-14(3)18(16,17)10-6-4-9(12)5-7-10/h4-7H,8H2,1-3H3
InChIKeyHCIHVHNKAPAHQG-UHFFFAOYSA-N
XLogP1.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorobenzene)(2-methylpropyl)sulfonamido]-N-hydroxyacetamide
CID 10853176
1-(4-Chlorophenyl)sulfonyl-4-methylpiperazine
CID 754318
1-[4-(3-Chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2559660
4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
1-[4-(4-Chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2572434
3-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 4963713
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 4782818
2-(N-methyl-4-chlorobenzenesulfonamido)acetic acid
CID 362744
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 803952
4-chloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 804278
4-chloro-N-ethyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 934904
4-chloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 965272

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide (CID 973230) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
The InChIKey is HCIHVHNKAPAHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-13(2)11(15)8-14(3)18(16,17)10-6-4-9(12)5-7-10/h4-7H,8H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide has a molecular weight of 290.77 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 973230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).