N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

C20H24ClN3O3S — CID 7388136

IUPACN-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24ClN3O3S/c1-16-6-8-19(9-7-16)28(26,27)24(15-17-4-3-5-18(21)14-17)20(25)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15H2,1-2H3
InChIKeyGQAJMBHUVVIJCR-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.21
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide

N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (PubChem CID 7388136) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
PubChem CID7388136
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C20H24ClN3O3S/c1-16-6-8-19(9-7-16)28(26,27)24(15-17-4-3-5-18(21)14-17)20(25)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15H2,1-2H3
InChIKeyGQAJMBHUVVIJCR-UHFFFAOYSA-N
XLogP3.21
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-4-((4-chlorophenyl)sulfonyl)piperazine
CID 985373
1-(3-Chlorobenzyl)-4-(phenylsulfonyl)piperazine
CID 1364863
{[(4-chlorophenyl)methyl]amino}-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 2103195
1-(2-Chlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 2169034
N-benzyl-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 7388109
N-(2-fluorobenzyl)-4-methyl-N-tosylpiperazine-1-carboxamide
CID 7388134
N-[(3-chlorophenyl)methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 9204198
4-(benzenesulfonyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 9207918
1-(Benzylsulfonyl)-4-(3-chlorobenzyl)piperazine
CID 9443406
1-Benzyl-4-[(3-chlorobenzyl)sulfonyl]piperazine
CID 17741018
4-methyl-N-tosyl-N-(3-(trifluoromethyl)benzyl)piperazine-1-carboxamide
CID 18580947
1-[4-Chlorophenylsulfonyl]-4-[4-(dimethylaminomethyl)phenylmethyl]-piperazine
CID 25022620

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide (CID 7388136) is N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is Cc1ccc(S(=O)(=O)N(Cc2cccc(Cl)c2)C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
The InChIKey is GQAJMBHUVVIJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-16-6-8-19(9-7-16)28(26,27)24(15-17-4-3-5-18(21)14-17)20(25)23-12-10-22(2)11-13-23/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide?
N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide has a molecular weight of 421.95 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide is sourced from PubChem (CID 7388136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).