[4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate

C20H23Cl2NO5S — CID 70131088

IUPAC[4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(Cl)cc1N(CCC[C@@H](C)O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23Cl2NO5S/c1-14(24)4-3-11-23(29(26,27)19-9-7-17(21)8-10-19)20-12-18(22)6-5-16(20)13-28-15(2)25/h5-10,12,14,24H,3-4,11,13H2,1-2H3/t14-/m1/s1
InChIKeySYVCVFZYMLUWDE-CQSZACIVSA-N
MW460.38 g/mol
LogP4.41
Rot. Bonds9

About [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate

[4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate (PubChem CID 70131088) has the molecular formula C20H23Cl2NO5S and a molecular weight of 460.38 g/mol. Its IUPAC name is [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate.

Molecular Properties

Compound Name[4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate
PubChem CID70131088
Molecular FormulaC20H23Cl2NO5S
Molecular Weight460.38 g/mol
Exact Mass459.07
IUPAC Name[4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate
SMILESCC(=O)OCc1ccc(Cl)cc1N(CCC[C@@H](C)O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23Cl2NO5S/c1-14(24)4-3-11-23(29(26,27)19-9-7-17(21)8-10-19)20-12-18(22)6-5-16(20)13-28-15(2)25/h5-10,12,14,24H,3-4,11,13H2,1-2H3/t14-/m1/s1
InChIKeySYVCVFZYMLUWDE-CQSZACIVSA-N
XLogP4.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate 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

N-[(4R)-4-bromopentyl]-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 70088605
4-[5-chloro-N-(4-chlorophenyl)sulfonyl-2-(hydroxymethyl)anilino]butyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 142014094
N-[(3R)-3-bromobutyl]-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 70091590
4-chloro-N-(5-chloro-2-fluorophenyl)-N-[(2R)-2-hydroxy-3-methylbutyl]benzenesulfonamide
CID 139932053
4-[4-chloro-2-[(2,5-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]butanamide
CID 58941366
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
3-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50892666
N-(4-aminobutan-2-yl)-4-chloro-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 22276002
4-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)butanoic acid
CID 50890002
2-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)acetamide
CID 50893600
3-(N-(4-chlorophenyl)sulfonyl-2-propan-2-ylanilino)propanoic acid
CID 50893629
N-amino-N-[2-[benzenesulfonyl(butyl)amino]-5-chlorophenyl]formamide
CID 174588762

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate?
The IUPAC name of [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate (CID 70131088) is [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate.
What is the SMILES notation for [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate?
The canonical SMILES for [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate is CC(=O)OCc1ccc(Cl)cc1N(CCC[C@@H](C)O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate?
The InChIKey is SYVCVFZYMLUWDE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23Cl2NO5S/c1-14(24)4-3-11-23(29(26,27)19-9-7-17(21)8-10-19)20-12-18(22)6-5-16(20)13-28-15(2)25/h5-10,12,14,24H,3-4,11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate?
[4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate has a molecular weight of 460.38 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[(4-chlorophenyl)sulfonyl-[(4R)-4-hydroxypentyl]amino]phenyl]methyl acetate is sourced from PubChem (CID 70131088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).