4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

C9H12N6O3S — CID 81438010

IUPAC4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2nn[nH]n2)ccc1N
InChIInChI=1S/C9H12N6O3S/c1-18-8-4-6(2-3-7(8)10)19(16,17)11-5-9-12-14-15-13-9/h2-4,11H,5,10H2,1H3,(H,12,13,14,15)
InChIKeyAALUKPWXZPQTLR-UHFFFAOYSA-N
MW284.30 g/mol
LogP-0.73
Rot. Bonds5

About 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 81438010) has the molecular formula C9H12N6O3S and a molecular weight of 284.30 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID81438010
Molecular FormulaC9H12N6O3S
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC Name4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCc2nn[nH]n2)ccc1N
InChIInChI=1S/C9H12N6O3S/c1-18-8-4-6(2-3-7(8)10)19(16,17)11-5-9-12-14-15-13-9/h2-4,11H,5,10H2,1H3,(H,12,13,14,15)
InChIKeyAALUKPWXZPQTLR-UHFFFAOYSA-N
XLogP-0.73
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 82843953
4-amino-3-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 81438616
4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805
4-propan-2-yloxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720169
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methoxybenzenesulfonamide
CID 81441299
4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 81440806
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-methylsulfanylpropyl)benzenesulfonamide
CID 113466249
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876
4-amino-N-[4-(dimethylamino)butyl]-3-methoxybenzenesulfonamide
CID 81438619

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 81438010) is 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is COc1cc(S(=O)(=O)NCc2nn[nH]n2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is AALUKPWXZPQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3S/c1-18-8-4-6(2-3-7(8)10)19(16,17)11-5-9-12-14-15-13-9/h2-4,11H,5,10H2,1H3,(H,12,13,14,15).
What are the key properties of 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 284.30 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81438010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).