N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide

C10H19N3O2S — CID 102691717

IUPACN-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H19N3O2S/c1-8(2)4-5-9(3)13-16(14,15)10-6-7-11-12-10/h6-9,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyAYXZSPHCQCZEBA-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.51
Rot. Bonds6

About N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide

N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691717) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102691717
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C10H19N3O2S/c1-8(2)4-5-9(3)13-16(14,15)10-6-7-11-12-10/h6-9,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyAYXZSPHCQCZEBA-UHFFFAOYSA-N
XLogP1.51
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[amino-oxo-(1H-pyrazol-5-yl)-lambda6-sulfanylidene]-4-methylpentanamide
CID 156500005
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692181
N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692682
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692683
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102692781
N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 102693247
N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 105935996
N-tert-butyl-1H-pyrazole-5-sulfonamide
CID 20160118
N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 24866163
N,N-dimethyl-1H-pyrazole-3-sulfonamide
CID 66857593
N-methyl-1H-pyrazole-5-sulfonamide
CID 102690975

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide (CID 102691717) is N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide is CC(C)CCC(C)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is AYXZSPHCQCZEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-8(2)4-5-9(3)13-16(14,15)10-6-7-11-12-10/h6-9,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide?
N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 245.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).