4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide

C18H21N3O3S — CID 6466750

IUPAC4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H21N3O3S/c1-15-7-5-6-10-17(15)19-18(22)20-11-13-21(14-12-20)25(23,24)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyPJVXEVFDIILJEI-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.53
Rot. Bonds3

About 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide

4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 6466750) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID6466750
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H21N3O3S/c1-15-7-5-6-10-17(15)19-18(22)20-11-13-21(14-12-20)25(23,24)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,19,22)
InChIKeyPJVXEVFDIILJEI-UHFFFAOYSA-N
XLogP2.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide (CID 6466750) is 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is PJVXEVFDIILJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-15-7-5-6-10-17(15)19-18(22)20-11-13-21(14-12-20)25(23,24)16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,19,22).
What are the key properties of 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide?
4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 6466750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).