N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

C10H11ClN4O2S — CID 62086051

IUPACN-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C10H11ClN4O2S/c1-6-9(5-13-14-6)18(16,17)15-10-7(11)3-2-4-8(10)12/h2-5,15H,12H2,1H3,(H,13,14)
InChIKeyQRDZUEGEXDXFNX-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.75
Rot. Bonds3

About N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 62086051) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID62086051
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC NameN-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C10H11ClN4O2S/c1-6-9(5-13-14-6)18(16,17)15-10-7(11)3-2-4-8(10)12/h2-5,15H,12H2,1H3,(H,13,14)
InChIKeyQRDZUEGEXDXFNX-UHFFFAOYSA-N
XLogP1.75
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.75
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-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66257339
5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
N-(6-amino-2,3-dimethylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54929809
N-(2-amino-6-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62084614
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65453182
N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 83167318
N-(5-chloro-1,3-benzothiazol-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248974
N-(4-amino-3-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54944574
N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62086054
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
1-amino-3-chloro-2-(sulfamoylamino)benzene
CID 114958705

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 62086051) is N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)Nc1c(N)cccc1Cl.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QRDZUEGEXDXFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-6-9(5-13-14-6)18(16,17)15-10-7(11)3-2-4-8(10)12/h2-5,15H,12H2,1H3,(H,13,14).
What are the key properties of N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 286.74 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62086051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).