3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide

C16H20N4O2S — CID 133269180

IUPAC3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(c3ccncc3)NN2)cc1C
InChIInChI=1S/C16H20N4O2S/c1-11-3-4-14(9-12(11)2)23(21,22)20-16-10-15(18-19-16)13-5-7-17-8-6-13/h3-9,15-16,18-20H,10H2,1-2H3
InChIKeyBYYVORBIWDNWHD-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.54
Rot. Bonds4

About 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide

3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide (PubChem CID 133269180) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide
PubChem CID133269180
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(c3ccncc3)NN2)cc1C
InChIInChI=1S/C16H20N4O2S/c1-11-3-4-14(9-12(11)2)23(21,22)20-16-10-15(18-19-16)13-5-7-17-8-6-13/h3-9,15-16,18-20H,10H2,1-2H3
InChIKeyBYYVORBIWDNWHD-UHFFFAOYSA-N
XLogP1.54
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide (CID 133269180) is 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC(c3ccncc3)NN2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide?
The InChIKey is BYYVORBIWDNWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11-3-4-14(9-12(11)2)23(21,22)20-16-10-15(18-19-16)13-5-7-17-8-6-13/h3-9,15-16,18-20H,10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide?
3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(5-pyridin-4-ylpyrazolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 133269180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).