4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide

C10H12N4O3S — CID 81437806

IUPAC4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccn[nH]2)ccc1N
InChIInChI=1S/C10H12N4O3S/c1-17-9-6-7(2-3-8(9)11)18(15,16)14-10-4-5-12-13-10/h2-6H,11H2,1H3,(H2,12,13,14)
InChIKeyJGYGLMRUQMGNOK-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.80
Rot. Bonds4

About 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide

4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 81437806) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID81437806
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccn[nH]2)ccc1N
InChIInChI=1S/C10H12N4O3S/c1-17-9-6-7(2-3-8(9)11)18(15,16)14-10-4-5-12-13-10/h2-6H,11H2,1H3,(H2,12,13,14)
InChIKeyJGYGLMRUQMGNOK-UHFFFAOYSA-N
XLogP0.80
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394362
4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 81438616
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4-amino-N-(2-chloro-5-fluorophenyl)-3-methoxybenzenesulfonamide
CID 107526733
4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 81438403
3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394212
5-bromo-2-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 56684268
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
CID 81438669
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 81440404

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 81437806) is 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccn[nH]2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is JGYGLMRUQMGNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-17-9-6-7(2-3-8(9)11)18(15,16)14-10-4-5-12-13-10/h2-6H,11H2,1H3,(H2,12,13,14).
What are the key properties of 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide?
4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 268.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 81437806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).