4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide

C11H19ClN4O2S — CID 106315466

IUPAC4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC1(C)CCNCC1
InChIInChI=1S/C11H19ClN4O2S/c1-11(3-5-13-6-4-11)8-15-19(17,18)10-9(12)7-14-16(10)2/h7,13,15H,3-6,8H2,1-2H3
InChIKeyODYFGBWBFRQMNQ-UHFFFAOYSA-N
MW306.82 g/mol
LogP0.74
Rot. Bonds4

About 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide

4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide (PubChem CID 106315466) has the molecular formula C11H19ClN4O2S and a molecular weight of 306.82 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide
PubChem CID106315466
Molecular FormulaC11H19ClN4O2S
Molecular Weight306.82 g/mol
Exact Mass306.09
IUPAC Name4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)NCC1(C)CCNCC1
InChIInChI=1S/C11H19ClN4O2S/c1-11(3-5-13-6-4-11)8-15-19(17,18)10-9(12)7-14-16(10)2/h7,13,15H,3-6,8H2,1-2H3
InChIKeyODYFGBWBFRQMNQ-UHFFFAOYSA-N
XLogP0.74
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide (CID 106315466) is 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)NCC1(C)CCNCC1.
What is the InChIKey of 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide?
The InChIKey is ODYFGBWBFRQMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2S/c1-11(3-5-13-6-4-11)8-15-19(17,18)10-9(12)7-14-16(10)2/h7,13,15H,3-6,8H2,1-2H3.
What are the key properties of 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide?
4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide has a molecular weight of 306.82 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-5-sulfonamide is sourced from PubChem (CID 106315466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).