N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide

C10H12N4O2S — CID 54937299

IUPACN-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H12N4O2S/c1-7-2-3-8(11)4-10(7)14-17(15,16)9-5-12-13-6-9/h2-6,14H,11H2,1H3,(H,12,13)
InChIKeyQKZKAKRFVPOAHD-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.10
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide

N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54937299) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID54937299
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H12N4O2S/c1-7-2-3-8(11)4-10(7)14-17(15,16)9-5-12-13-6-9/h2-6,14H,11H2,1H3,(H,12,13)
InChIKeyQKZKAKRFVPOAHD-UHFFFAOYSA-N
XLogP1.10
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.10
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-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
N-(5-amino-2-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 43605199
3-methyl-4-(1H-pyrazol-4-ylsulfonylamino)benzoic acid
CID 54937391
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
N-(2-methyl-4-propan-2-yloxyphenyl)-1H-pyrazole-4-sulfonamide
CID 47267972
N-(2-chloro-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 66254277
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-(2-hydroxy-6-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54909805
N-(4-bromo-2-ethylphenyl)-1H-pyrazole-4-sulfonamide
CID 80975298
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-sulfonamide
CID 60915947

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide (CID 54937299) is N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide is Cc1ccc(N)cc1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QKZKAKRFVPOAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7-2-3-8(11)4-10(7)14-17(15,16)9-5-12-13-6-9/h2-6,14H,11H2,1H3,(H,12,13).
What are the key properties of N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide?
N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 252.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54937299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).