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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Related Compounds

3,4-dimethyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135107844
3,4-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 79044055
N-(3-amino-2,2-dimethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
CID 114632554
3,4-dimethyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 49370742
N-(2-bromocyclohexyl)-3,4-dimethylbenzenesulfonamide
CID 114297346
3,4-dimethyl-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 1256393
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzenesulfonamide
CID 110712587
N-(2-chlorocyclopentyl)-3,4-dimethylbenzenesulfonamide
CID 114189412
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75975474
3,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110446621
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3,4-dimethylbenzenesulfonamide
CID 79699038

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).