N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H18N4O2S — CID 60972945

IUPACN-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1N
InChIInChI=1S/C13H18N4O2S/c1-7-5-6-11(8(2)12(7)14)17-20(18,19)13-9(3)15-16-10(13)4/h5-6,17H,14H2,1-4H3,(H,15,16)
InChIKeyGTPVCEIFLSWVJT-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.03
Rot. Bonds3

About N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 60972945) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID60972945
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1N
InChIInChI=1S/C13H18N4O2S/c1-7-5-6-11(8(2)12(7)14)17-20(18,19)13-9(3)15-16-10(13)4/h5-6,17H,14H2,1-4H3,(H,15,16)
InChIKeyGTPVCEIFLSWVJT-UHFFFAOYSA-N
XLogP2.03
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.03
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

N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777753
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
3,5-dimethyl-N-(2-methyl-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43398044
N-(4-bromo-2-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 82708048
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64787560
N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26949775
N-(3-amino-2-pyridinyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113391851
N-(2-amino-4-bromo-6-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43551023
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62084614
N-(4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28785562

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 60972945) is N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1N.
What is the InChIKey of N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is GTPVCEIFLSWVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-7-5-6-11(8(2)12(7)14)17-20(18,19)13-9(3)15-16-10(13)4/h5-6,17H,14H2,1-4H3,(H,15,16).
What are the key properties of N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60972945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).