2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide

C20H21Cl2N3O4S — CID 39911331

IUPAC2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H21Cl2N3O4S/c21-15-12-16(22)19(30(28,29)23-13-5-6-13)11-14(15)20(27)25-9-7-24(8-10-25)17-3-1-2-4-18(17)26/h1-4,11-13,23,26H,5-10H2
InChIKeyVLKNESDEIJKEIH-UHFFFAOYSA-N
MW470.38 g/mol
LogP3.10
Rot. Bonds5

About 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide

2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 39911331) has the molecular formula C20H21Cl2N3O4S and a molecular weight of 470.38 g/mol. Its IUPAC name is 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID39911331
Molecular FormulaC20H21Cl2N3O4S
Molecular Weight470.38 g/mol
Exact Mass469.06
IUPAC Name2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1
InChIInChI=1S/C20H21Cl2N3O4S/c21-15-12-16(22)19(30(28,29)23-13-5-6-13)11-14(15)20(27)25-9-7-24(8-10-25)17-3-1-2-4-18(17)26/h1-4,11-13,23,26H,5-10H2
InChIKeyVLKNESDEIJKEIH-UHFFFAOYSA-N
XLogP3.10
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide 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

2,4-dichloro-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 30866694
2,4-dichloro-N-cyclopropyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 22109871
2,4-dichloro-N-cyclopropyl-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55358300
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985999
2,4-dichloro-N-(3-chloro-4-morpholin-4-ylphenyl)-5-(cyclopropylsulfamoyl)benzamide
CID 5295479
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46806330
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
2,4-dichloro-5-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 60634969
2,4-dichloro-5-(cyclohexylsulfamoyl)-N-phenylbenzamide
CID 1356387
N-cyclopropyl-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 35131778
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide (CID 39911331) is 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is O=C(c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)N1CCN(c2ccccc2O)CC1.
What is the InChIKey of 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is VLKNESDEIJKEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4S/c21-15-12-16(22)19(30(28,29)23-13-5-6-13)11-14(15)20(27)25-9-7-24(8-10-25)17-3-1-2-4-18(17)26/h1-4,11-13,23,26H,5-10H2.
What are the key properties of 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide?
2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 470.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-cyclopropyl-5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 39911331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).