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

C11H14N4O2S — CID 60815176

IUPAC5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H14N4O2S/c1-7-3-8(2)5-9(4-7)15-18(16,17)10-6-13-14-11(10)12/h3-6,15H,1-2H3,(H3,12,13,14)
InChIKeyYHRBSTJBCMAHQO-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.41
Rot. Bonds3

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

5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60815176) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID60815176
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H14N4O2S/c1-7-3-8(2)5-9(4-7)15-18(16,17)10-6-13-14-11(10)12/h3-6,15H,1-2H3,(H3,12,13,14)
InChIKeyYHRBSTJBCMAHQO-UHFFFAOYSA-N
XLogP1.41
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
5-amino-N-phenyl-1H-pyrazole-4-sulfonamide
CID 60812703
5-amino-N-(4-bromo-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54922704
5-amino-N-(4-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 60812866
5-amino-N-(5-bromo-3-methyl-2-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 83167706
5-amino-N-(2,4,6-trichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 54922613
5-amino-N-(2,6-dibromophenyl)-1H-pyrazole-4-sulfonamide
CID 107596356
5-amino-N-naphthalen-2-yl-1H-pyrazole-4-sulfonamide
CID 61112730
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107334243
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-sulfonamide
CID 60808929
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
5-amino-N-(4-ethoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60810401

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide (CID 60815176) is 5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cn[nH]c2N)c1.
What is the InChIKey of 5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YHRBSTJBCMAHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-3-8(2)5-9(4-7)15-18(16,17)10-6-13-14-11(10)12/h3-6,15H,1-2H3,(H3,12,13,14).
What are the key properties of 5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 266.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60815176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).