N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H14N4O2S — CID 54944574

IUPACN-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn[nH]c2C)ccc1N
InChIInChI=1S/C11H14N4O2S/c1-7-5-9(3-4-10(7)12)15-18(16,17)11-6-13-14-8(11)2/h3-6,15H,12H2,1-2H3,(H,13,14)
InChIKeyNVHPEUMMVFFVCN-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.41
Rot. Bonds3

About N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54944574) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54944574
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC NameN-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cn[nH]c2C)ccc1N
InChIInChI=1S/C11H14N4O2S/c1-7-5-9(3-4-10(7)12)15-18(16,17)11-6-13-14-8(11)2/h3-6,15H,12H2,1-2H3,(H,13,14)
InChIKeyNVHPEUMMVFFVCN-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

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929809
N-(2-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 63257228
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929630
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911975
N-(3-amino-5-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 107334243
N-[3-(benzenesulfonyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 154848350
1-methyl-3-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]urea
CID 61275594
3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]benzenecarbothioamide
CID 54930241

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54944574) is N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1cc(NS(=O)(=O)c2cn[nH]c2C)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is NVHPEUMMVFFVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-7-5-9(3-4-10(7)12)15-18(16,17)11-6-13-14-8(11)2/h3-6,15H,12H2,1-2H3,(H,13,14).
What are the key properties of N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-amino-3-methylphenyl)-5-methyl-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 N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54944574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).