5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide

C12H23N3O2S — CID 54930115

IUPAC5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)CCCC(C)C
InChIInChI=1S/C12H23N3O2S/c1-9(2)6-5-7-10(3)15-18(16,17)12-8-13-14-11(12)4/h8-10,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyRDNYSFGEOAUUGQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.21
Rot. Bonds7

About 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 54930115) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID54930115
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)CCCC(C)C
InChIInChI=1S/C12H23N3O2S/c1-9(2)6-5-7-10(3)15-18(16,17)12-8-13-14-11(12)4/h8-10,15H,5-7H2,1-4H3,(H,13,14)
InChIKeyRDNYSFGEOAUUGQ-UHFFFAOYSA-N
XLogP2.21
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide (CID 54930115) is 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC(C)CCCC(C)C.
What is the InChIKey of 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RDNYSFGEOAUUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-9(2)6-5-7-10(3)15-18(16,17)12-8-13-14-11(12)4/h8-10,15H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54930115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).