2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C19H20Cl2N2O4S — CID 1138641

IUPAC2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1
InChIInChI=1S/C19H20Cl2N2O4S/c20-14-9-15(21)11-16(10-14)23(28(25,26)18-6-2-1-3-7-18)13-19(24)22-12-17-5-4-8-27-17/h1-3,6-7,9-11,17H,4-5,8,12-13H2,(H,22,24)/t17-/m0/s1
InChIKeyBVXSYTLHHJEBIC-KRWDZBQOSA-N
MW443.35 g/mol
LogP3.48
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 1138641) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID1138641
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1
InChIInChI=1S/C19H20Cl2N2O4S/c20-14-9-15(21)11-16(10-14)23(28(25,26)18-6-2-1-3-7-18)13-19(24)22-12-17-5-4-8-27-17/h1-3,6-7,9-11,17H,4-5,8,12-13H2,(H,22,24)/t17-/m0/s1
InChIKeyBVXSYTLHHJEBIC-KRWDZBQOSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1303995
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143030
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 2896469
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143041
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1107734
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide
CID 133250297
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-(oxolan-2-ylmethyl)acetamide
CID 4190035
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3984975
2-(3-chloro-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144142
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1006725
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1276390

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 1138641) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is BVXSYTLHHJEBIC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c20-14-9-15(21)11-16(10-14)23(28(25,26)18-6-2-1-3-7-18)13-19(24)22-12-17-5-4-8-27-17/h1-3,6-7,9-11,17H,4-5,8,12-13H2,(H,22,24)/t17-/m0/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 443.35 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 1138641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).