N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

C20H24N2O3S — CID 1041096

IUPACN,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-6-12-19(13-7-16)26(24,25)21(2)18-10-8-17(9-11-18)20(23)22-14-4-3-5-15-22/h6-13H,3-5,14-15H2,1-2H3
InChIKeyZWXHHXNVOCAWNY-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.45
Rot. Bonds4

About N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide

N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 1041096) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID1041096
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-16-6-12-19(13-7-16)26(24,25)21(2)18-10-8-17(9-11-18)20(23)22-14-4-3-5-15-22/h6-13H,3-5,14-15H2,1-2H3
InChIKeyZWXHHXNVOCAWNY-UHFFFAOYSA-N
XLogP3.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 1041096) is N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is ZWXHHXNVOCAWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16-6-12-19(13-7-16)26(24,25)21(2)18-10-8-17(9-11-18)20(23)22-14-4-3-5-15-22/h6-13H,3-5,14-15H2,1-2H3.
What are the key properties of N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide?
N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[4-(piperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1041096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).