3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C14H20N4O2S — CID 107406911

IUPAC3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)Nc2[nH]ncc2C)c1
InChIInChI=1S/C14H20N4O2S/c1-4-10-6-12(15)11(5-2)13(7-10)21(19,20)18-14-9(3)8-16-17-14/h6-8H,4-5,15H2,1-3H3,(H2,16,17,18)
InChIKeyKZYHVALGBFDFLB-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.23
Rot. Bonds5

About 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 107406911) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID107406911
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCCc1cc(N)c(CC)c(S(=O)(=O)Nc2[nH]ncc2C)c1
InChIInChI=1S/C14H20N4O2S/c1-4-10-6-12(15)11(5-2)13(7-10)21(19,20)18-14-9(3)8-16-17-14/h6-8H,4-5,15H2,1-3H3,(H2,16,17,18)
InChIKeyKZYHVALGBFDFLB-UHFFFAOYSA-N
XLogP2.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922987
5-amino-N-(2-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808292
5-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60809568
5-amino-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 60809570
5-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60809743
5-amino-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815042
5-amino-N-(3-fluoro-4-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815183
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61227639
5-amino-N-(3-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 61636103
5-amino-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 62810920
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 63037528
5-amino-2-fluoro-4-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 64193573

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 107406911) is 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is CCc1cc(N)c(CC)c(S(=O)(=O)Nc2[nH]ncc2C)c1.
What is the InChIKey of 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is KZYHVALGBFDFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-10-6-12(15)11(5-2)13(7-10)21(19,20)18-14-9(3)8-16-17-14/h6-8H,4-5,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-diethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 107406911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).