4-(azidomethyl)-2-methoxybenzenesulfonamide

C8H10N4O3S — CID 59667698

IUPAC4-(azidomethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(CN=[N+]=[N-])ccc1S(N)(=O)=O
InChIInChI=1S/C8H10N4O3S/c1-15-7-4-6(5-11-12-9)2-3-8(7)16(10,13)14/h2-4H,5H2,1H3,(H2,10,13,14)
InChIKeyBCAATUJGPYRWPV-UHFFFAOYSA-N
MW242.26 g/mol
LogP1.15
Rot. Bonds4

About 4-(azidomethyl)-2-methoxybenzenesulfonamide

4-(azidomethyl)-2-methoxybenzenesulfonamide (PubChem CID 59667698) has the molecular formula C8H10N4O3S and a molecular weight of 242.26 g/mol. Its IUPAC name is 4-(azidomethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-(azidomethyl)-2-methoxybenzenesulfonamide
PubChem CID59667698
Molecular FormulaC8H10N4O3S
Molecular Weight242.26 g/mol
Exact Mass242.05
IUPAC Name4-(azidomethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(CN=[N+]=[N-])ccc1S(N)(=O)=O
InChIInChI=1S/C8H10N4O3S/c1-15-7-4-6(5-11-12-9)2-3-8(7)16(10,13)14/h2-4H,5H2,1H3,(H2,10,13,14)
InChIKeyBCAATUJGPYRWPV-UHFFFAOYSA-N
XLogP1.15
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-methoxy-4-(2-oxopropyl)benzenesulfonamide
CID 163498161
[4-(azidomethyl)-2-methoxyphenyl] 2,2-dimethylpropanoate
CID 101457350
5-(azidomethyl)-1,2,3-trimethoxybenzene;molecular fluorine
CID 167696388
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
4-(azidomethyl)-1-[ethoxy(methoxy)methoxy]-2-methoxybenzene
CID 91622888
4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
CID 141353715
4-(2-azidoethyl)-2-methoxyphenol;methane
CID 167709362
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
2-[(3,4-dimethoxyphenyl)methyl]-4-nitrobenzenesulfonamide
CID 175211045
sodium 4-ethyl-2-methoxybenzenesulfonate
CID 140661935
1-(azidomethyl)-2-methoxybenzene
CID 11263685

Frequently Asked Questions

What is the IUPAC name of 4-(azidomethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-(azidomethyl)-2-methoxybenzenesulfonamide (CID 59667698) is 4-(azidomethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-(azidomethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-(azidomethyl)-2-methoxybenzenesulfonamide is COc1cc(CN=[N+]=[N-])ccc1S(N)(=O)=O.
What is the InChIKey of 4-(azidomethyl)-2-methoxybenzenesulfonamide?
The InChIKey is BCAATUJGPYRWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S/c1-15-7-4-6(5-11-12-9)2-3-8(7)16(10,13)14/h2-4H,5H2,1H3,(H2,10,13,14).
What are the key properties of 4-(azidomethyl)-2-methoxybenzenesulfonamide?
4-(azidomethyl)-2-methoxybenzenesulfonamide has a molecular weight of 242.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azidomethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 59667698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).