3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide

C18H21ClN2O3S — CID 51895775

IUPAC3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13(22)14-7-6-8-15(11-14)25(23,24)20-12-18(21(2)3)16-9-4-5-10-17(16)19/h4-11,18,20H,12H2,1-3H3/t18-/m1/s1
InChIKeyPKEYEGGXBZQDHI-GOSISDBHSA-N
MW380.90 g/mol
LogP3.12
Rot. Bonds7

About 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide

3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 51895775) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID51895775
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13(22)14-7-6-8-15(11-14)25(23,24)20-12-18(21(2)3)16-9-4-5-10-17(16)19/h4-11,18,20H,12H2,1-3H3/t18-/m1/s1
InChIKeyPKEYEGGXBZQDHI-GOSISDBHSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710902
2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 55598328
3-acetyl-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 110663554
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
5-[(3-acetylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 82013121
N-[(2S)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 25494570
3-acetyl-N-(2,2-diethoxyethyl)benzenesulfonamide
CID 78907733
2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]-1-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829873

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide (CID 51895775) is 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)N(C)C)c1.
What is the InChIKey of 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is PKEYEGGXBZQDHI-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13(22)14-7-6-8-15(11-14)25(23,24)20-12-18(21(2)3)16-9-4-5-10-17(16)19/h4-11,18,20H,12H2,1-3H3/t18-/m1/s1.
What are the key properties of 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 51895775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).