2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide

C16H17ClN2O3S — CID 20851212

IUPAC2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-19(2)16(20)11-18-14-5-3-4-6-15(14)23(21,22)13-9-7-12(17)8-10-13/h3-10,18H,11H2,1-2H3
InChIKeyADATWWHBRPSWDV-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.67
Rot. Bonds5

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

2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide (PubChem CID 20851212) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
PubChem CID20851212
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1ccccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-19(2)16(20)11-18-14-5-3-4-6-15(14)23(21,22)13-9-7-12(17)8-10-13/h3-10,18H,11H2,1-2H3
InChIKeyADATWWHBRPSWDV-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-fluorophenyl)sulfonylanilino]-N,N-dimethylacetamide
CID 20851233
2-[2-(4-chlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]-N,N-dimethylacetamide
CID 20850358
N,N-dimethyl-2-[4-methyl-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304310
2-[4-chloro-2-(4-chlorophenyl)sulfonylanilino]acetic acid
CID 22301669
2-(2-aminoanilino)-N,N-dimethylacetamide
CID 43310935
(2,4-dichlorophenyl) 2-[2-(benzenesulfonyl)anilino]acetate
CID 20851016
2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
2-(2-carbamothioyl-3-chloroanilino)-N,N-dimethylacetamide
CID 62502616
2-(5-chloro-2-methoxyanilino)-N,N-dimethylacetamide
CID 28578226
N,N-dimethyl-3-(2-methylsulfonylanilino)propanamide
CID 54934964
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480885
N,N-dimethyl-2-[3-(methylamino)-2-nitroanilino]acetamide
CID 80783693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide (CID 20851212) is 2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1ccccc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide?
The InChIKey is ADATWWHBRPSWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-19(2)16(20)11-18-14-5-3-4-6-15(14)23(21,22)13-9-7-12(17)8-10-13/h3-10,18H,11H2,1-2H3.
What are the key properties of 2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide?
2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide has a molecular weight of 352.84 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonylanilino]-N,N-dimethylacetamide is sourced from PubChem (CID 20851212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).