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

C11H14N4O3S — CID 81438616

IUPAC4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccn[nH]2)ccc1N
InChIInChI=1S/C11H14N4O3S/c1-18-11-6-9(2-3-10(11)12)19(16,17)14-7-8-4-5-13-15-8/h2-6,14H,7,12H2,1H3,(H,13,15)
InChIKeyVKKGFGIARAWPNY-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.48
Rot. Bonds5

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

4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 81438616) has the molecular formula C11H14N4O3S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
PubChem CID81438616
Molecular FormulaC11H14N4O3S
Molecular Weight282.32 g/mol
Exact Mass282.08
IUPAC Name4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2ccn[nH]2)ccc1N
InChIInChI=1S/C11H14N4O3S/c1-18-11-6-9(2-3-10(11)12)19(16,17)14-7-8-4-5-13-15-8/h2-6,14H,7,12H2,1H3,(H,13,15)
InChIKeyVKKGFGIARAWPNY-UHFFFAOYSA-N
XLogP0.48
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.48
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

4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 81437806
5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61285259
4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 81438010
4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805
3-amino-4-methoxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 61111745
4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 81440806
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 81441299
4-amino-N-(cyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438601
4-amino-N-[3-(methanesulfonamido)propyl]-3-methoxybenzenesulfonamide
CID 106333246
4-amino-N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 81438222
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466249

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (CID 81438616) is 4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCc2ccn[nH]2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is VKKGFGIARAWPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-18-11-6-9(2-3-10(11)12)19(16,17)14-7-8-4-5-13-15-8/h2-6,14H,7,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 282.32 g/mol, XLogP of 0.48, 5 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-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81438616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).