4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide

C19H23N3O3S — CID 9207921

IUPAC4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-16-7-9-17(10-8-16)15-20-19(23)21-11-13-22(14-12-21)26(24,25)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyLVYHGOIQURDNRD-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.21
Rot. Bonds4

About 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide

4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 9207921) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID9207921
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O3S/c1-16-7-9-17(10-8-16)15-20-19(23)21-11-13-22(14-12-21)26(24,25)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23)
InChIKeyLVYHGOIQURDNRD-UHFFFAOYSA-N
XLogP2.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 9207921) is 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is LVYHGOIQURDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-16-7-9-17(10-8-16)15-20-19(23)21-11-13-22(14-12-21)26(24,25)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,23).
What are the key properties of 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 9207921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).