5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide

C14H19ClN6O2S — CID 55914805

IUPAC5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H19ClN6O2S/c1-10-12(13(15)20(2)18-10)24(22,23)19-11-5-3-8-21(9-11)14-16-6-4-7-17-14/h4,6-7,11,19H,3,5,8-9H2,1-2H3
InChIKeyMYIIGULTYBYCOO-UHFFFAOYSA-N
MW370.87 g/mol
LogP1.12
Rot. Bonds4

About 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide (PubChem CID 55914805) has the molecular formula C14H19ClN6O2S and a molecular weight of 370.87 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide
PubChem CID55914805
Molecular FormulaC14H19ClN6O2S
Molecular Weight370.87 g/mol
Exact Mass370.10
IUPAC Name5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H19ClN6O2S/c1-10-12(13(15)20(2)18-10)24(22,23)19-11-5-3-8-21(9-11)14-16-6-4-7-17-14/h4,6-7,11,19H,3,5,8-9H2,1-2H3
InChIKeyMYIIGULTYBYCOO-UHFFFAOYSA-N
XLogP1.12
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide (CID 55914805) is 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide?
The InChIKey is MYIIGULTYBYCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6O2S/c1-10-12(13(15)20(2)18-10)24(22,23)19-11-5-3-8-21(9-11)14-16-6-4-7-17-14/h4,6-7,11,19H,3,5,8-9H2,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide has a molecular weight of 370.87 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 55914805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).