3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C15H22N2O3S — CID 2444428

IUPAC3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-12(18)13-5-4-6-15(11-13)21(19,20)17(3)14-7-9-16(2)10-8-14/h4-6,11,14H,7-10H2,1-3H3
InChIKeyHDPXMQIYJNMGHV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.60
Rot. Bonds4

About 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 2444428) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID2444428
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N(C)C2CCN(C)CC2)c1
InChIInChI=1S/C15H22N2O3S/c1-12(18)13-5-4-6-15(11-13)21(19,20)17(3)14-7-9-16(2)10-8-14/h4-6,11,14H,7-10H2,1-3H3
InChIKeyHDPXMQIYJNMGHV-UHFFFAOYSA-N
XLogP1.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 2444428) is 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N(C)C2CCN(C)CC2)c1.
What is the InChIKey of 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is HDPXMQIYJNMGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(18)13-5-4-6-15(11-13)21(19,20)17(3)14-7-9-16(2)10-8-14/h4-6,11,14H,7-10H2,1-3H3.
What are the key properties of 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 2444428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).