N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide

C13H17N3O2S — CID 54867726

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cn[nH]c2)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-9-4-5-13(10(2)6-9)11(3)16-19(17,18)12-7-14-15-8-12/h4-8,11,16H,1-3H3,(H,14,15)
InChIKeyXXNJRLGSXZTIGA-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.07
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide

N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 54867726) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID54867726
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cn[nH]c2)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-9-4-5-13(10(2)6-9)11(3)16-19(17,18)12-7-14-15-8-12/h4-8,11,16H,1-3H3,(H,14,15)
InChIKeyXXNJRLGSXZTIGA-UHFFFAOYSA-N
XLogP2.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54934224
N-[1-(4-propan-2-ylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 47363914
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694924
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazole-4-sulfonamide
CID 61276318
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
3-amino-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208367
2,3-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 43907923
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22201049
N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267972
methyl (2S)-2-(1H-pyrazol-4-ylsulfonylamino)propanoate
CID 61275343
(2S)-3-methyl-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 61138000

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide (CID 54867726) is N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cn[nH]c2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is XXNJRLGSXZTIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-4-5-13(10(2)6-9)11(3)16-19(17,18)12-7-14-15-8-12/h4-8,11,16H,1-3H3,(H,14,15).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide?
N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54867726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).