4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide

C20H24N2O5S2 — CID 71808741

IUPAC4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O5S2/c1-21(2)29(26,27)19-10-8-16(9-11-19)20(23)22-14-12-18(13-15-22)28(24,25)17-6-4-3-5-7-17/h3-11,18H,12-15H2,1-2H3
InChIKeyNCVAPKFZQHETTG-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.02
Rot. Bonds5

About 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide

4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 71808741) has the molecular formula C20H24N2O5S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
PubChem CID71808741
Molecular FormulaC20H24N2O5S2
Molecular Weight436.56 g/mol
Exact Mass436.11
IUPAC Name4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O5S2/c1-21(2)29(26,27)19-10-8-16(9-11-19)20(23)22-14-12-18(13-15-22)28(24,25)17-6-4-3-5-7-17/h3-11,18H,12-15H2,1-2H3
InChIKeyNCVAPKFZQHETTG-UHFFFAOYSA-N
XLogP2.02
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide (CID 71808741) is 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NCVAPKFZQHETTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S2/c1-21(2)29(26,27)19-10-8-16(9-11-19)20(23)22-14-12-18(13-15-22)28(24,25)17-6-4-3-5-7-17/h3-11,18H,12-15H2,1-2H3.
What are the key properties of 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide?
4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 436.56 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzenesulfonyl)piperidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 71808741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).