4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide

C19H22N2O3S — CID 1144102

IUPAC4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H22N2O3S/c1-15-10-11-16(19(22)20-17-8-4-2-5-9-17)14-18(15)25(23,24)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,20,22)
InChIKeyQSNRCGNYLFXFOX-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.42
Rot. Bonds4

About 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide

4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1144102) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1144102
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H22N2O3S/c1-15-10-11-16(19(22)20-17-8-4-2-5-9-17)14-18(15)25(23,24)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,20,22)
InChIKeyQSNRCGNYLFXFOX-UHFFFAOYSA-N
XLogP3.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide (CID 1144102) is 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QSNRCGNYLFXFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-10-11-16(19(22)20-17-8-4-2-5-9-17)14-18(15)25(23,24)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,20,22).
What are the key properties of 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide?
4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1144102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).