N-heptan-2-yl-1H-pyrazole-4-sulfonamide

C10H19N3O2S — CID 47267536

IUPACN-heptan-2-yl-1H-pyrazole-4-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H19N3O2S/c1-3-4-5-6-9(2)13-16(14,15)10-7-11-12-8-10/h7-9,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyPRMSSWOSFKLUJL-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.66
Rot. Bonds7

About N-heptan-2-yl-1H-pyrazole-4-sulfonamide

N-heptan-2-yl-1H-pyrazole-4-sulfonamide (PubChem CID 47267536) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-heptan-2-yl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-heptan-2-yl-1H-pyrazole-4-sulfonamide
PubChem CID47267536
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-heptan-2-yl-1H-pyrazole-4-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H19N3O2S/c1-3-4-5-6-9(2)13-16(14,15)10-7-11-12-8-10/h7-9,13H,3-6H2,1-2H3,(H,11,12)
InChIKeyPRMSSWOSFKLUJL-UHFFFAOYSA-N
XLogP1.66
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-heptan-2-yl-1H-pyrazole-4-sulfonamide (CID 47267536) is N-heptan-2-yl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-heptan-2-yl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-heptan-2-yl-1H-pyrazole-4-sulfonamide is CCCCCC(C)NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-heptan-2-yl-1H-pyrazole-4-sulfonamide?
The InChIKey is PRMSSWOSFKLUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-3-4-5-6-9(2)13-16(14,15)10-7-11-12-8-10/h7-9,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-heptan-2-yl-1H-pyrazole-4-sulfonamide?
N-heptan-2-yl-1H-pyrazole-4-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47267536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).