1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide

C17H25N5O4S2 — CID 71806351

IUPAC1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H25N5O4S2/c1-13-17(14(2)21(3)20-13)27(23,24)19-11-15-6-9-22(10-7-15)28(25,26)16-5-4-8-18-12-16/h4-5,8,12,15,19H,6-7,9-11H2,1-3H3
InChIKeySGGZCCNTJMBXRF-UHFFFAOYSA-N
MW427.55 g/mol
LogP0.81
Rot. Bonds6

About 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 71806351) has the molecular formula C17H25N5O4S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID71806351
Molecular FormulaC17H25N5O4S2
Molecular Weight427.55 g/mol
Exact Mass427.13
IUPAC Name1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C17H25N5O4S2/c1-13-17(14(2)21(3)20-13)27(23,24)19-11-15-6-9-22(10-7-15)28(25,26)16-5-4-8-18-12-16/h4-5,8,12,15,19H,6-7,9-11H2,1-3H3
InChIKeySGGZCCNTJMBXRF-UHFFFAOYSA-N
XLogP0.81
TPSA114.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide (CID 71806351) is 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is SGGZCCNTJMBXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S2/c1-13-17(14(2)21(3)20-13)27(23,24)19-11-15-6-9-22(10-7-15)28(25,26)16-5-4-8-18-12-16/h4-5,8,12,15,19H,6-7,9-11H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 427.55 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71806351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).