4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide

C19H23ClN4O3S — CID 1485493

IUPAC4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H23ClN4O3S/c1-22(2)28(26,27)16-9-7-15(8-10-16)21-19(25)24-13-11-23(12-14-24)18-6-4-3-5-17(18)20/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyVQOUAXXNJYZWAX-UHFFFAOYSA-N
MW422.94 g/mol
LogP2.94
Rot. Bonds4

About 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide

4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide (PubChem CID 1485493) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide
PubChem CID1485493
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC Name4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H23ClN4O3S/c1-22(2)28(26,27)16-9-7-15(8-10-16)21-19(25)24-13-11-23(12-14-24)18-6-4-3-5-17(18)20/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyVQOUAXXNJYZWAX-UHFFFAOYSA-N
XLogP2.94
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Glyparamide
CID 246940
1-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea
CID 137640310
N-[4-[[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]sulfamoyl]phenyl]acetamide
CID 16330427
N-phenyl-N'-[4-(1-piperidinylsulfonyl)phenyl]urea
CID 1011581
N-(4-chlorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53371960
N-(3-chlorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372091
1-(2,5-Dichlorophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836512
5-IMIDIZOLIDINONE, 1-(o-CHLORO-p-SULFAMOYLPHENYL)-3-PHENYL-
CID 40711
4-(2-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 1246099
N-{2-[4-(2-chlorophenyl)-1-piperazinyl]ethyl}-N'-phenylurea
CID 1257314
4-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)piperazine-1-carbothioamide
CID 2446123
N-[2-chloro-5-[ethyl(phenyl)sulfamoyl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 4869971

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide (CID 1485493) is 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide?
The InChIKey is VQOUAXXNJYZWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c1-22(2)28(26,27)16-9-7-15(8-10-16)21-19(25)24-13-11-23(12-14-24)18-6-4-3-5-17(18)20/h3-10H,11-14H2,1-2H3,(H,21,25).
What are the key properties of 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide?
4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide has a molecular weight of 422.94 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 1485493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).