5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

C10H11ClN4O2S — CID 104617147

IUPAC5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H11ClN4O2S/c1-6-5-13-14-10(6)15-18(16,17)9-4-7(12)2-3-8(9)11/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyFRTAPBPUEHTMAM-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.75
Rot. Bonds3

About 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide

5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 104617147) has the molecular formula C10H11ClN4O2S and a molecular weight of 286.74 g/mol. Its IUPAC name is 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID104617147
Molecular FormulaC10H11ClN4O2S
Molecular Weight286.74 g/mol
Exact Mass286.03
IUPAC Name5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCc1cn[nH]c1NS(=O)(=O)c1cc(N)ccc1Cl
InChIInChI=1S/C10H11ClN4O2S/c1-6-5-13-14-10(6)15-18(16,17)9-4-7(12)2-3-8(9)11/h2-5H,12H2,1H3,(H2,13,14,15)
InChIKeyFRTAPBPUEHTMAM-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

2-chloro-5-cyano-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104620941
methyl 4-amino-2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]benzoate
CID 102931590
5-amino-2-fluoro-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617116
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
2-amino-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433424
5-amino-2-chloro-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 29301609
2-amino-5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113433428
5-amino-2-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 29276222
2,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691550
5-amino-2-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 28528922
3,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237180
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587461

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 104617147) is 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is Cc1cn[nH]c1NS(=O)(=O)c1cc(N)ccc1Cl.
What is the InChIKey of 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is FRTAPBPUEHTMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2S/c1-6-5-13-14-10(6)15-18(16,17)9-4-7(12)2-3-8(9)11/h2-5H,12H2,1H3,(H2,13,14,15).
What are the key properties of 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide?
5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide 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 5-amino-2-chloro-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 104617147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).