3-amino-4-(hydroxymethyl)benzenesulfonamide

C7H10N2O3S — CID 67323774

IUPAC3-amino-4-(hydroxymethyl)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1CO
InChIInChI=1S/C7H10N2O3S/c8-7-3-6(13(9,11)12)2-1-5(7)4-10/h1-3,10H,4,8H2,(H2,9,11,12)
InChIKeyWYKWYZVVLRRJJL-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.59
Rot. Bonds2

About 3-amino-4-(hydroxymethyl)benzenesulfonamide

3-amino-4-(hydroxymethyl)benzenesulfonamide (PubChem CID 67323774) has the molecular formula C7H10N2O3S and a molecular weight of 202.24 g/mol. Its IUPAC name is 3-amino-4-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(hydroxymethyl)benzenesulfonamide
PubChem CID67323774
Molecular FormulaC7H10N2O3S
Molecular Weight202.24 g/mol
Exact Mass202.04
IUPAC Name3-amino-4-(hydroxymethyl)benzenesulfonamide
SMILESNc1cc(S(N)(=O)=O)ccc1CO
InChIInChI=1S/C7H10N2O3S/c8-7-3-6(13(9,11)12)2-1-5(7)4-10/h1-3,10H,4,8H2,(H2,9,11,12)
InChIKeyWYKWYZVVLRRJJL-UHFFFAOYSA-N
XLogP-0.59
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.59
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-amino-4-methylsulfonylphenyl)methanol
CID 139269655
2-(hydroxymethyl)-4-sulfamoylbenzenesulfonyl chloride
CID 164927394
2-amino-4-sulfamoylbenzenesulfonic acid
CID 152765505
3-amino-4-sulfanylbenzenesulfonamide
CID 43298928
sodium 2-amino-4-sulfamoylphenolate
CID 102504170
3-amino-4-[[3-(hydroxymethyl)phenyl]methylamino]benzenesulfonamide
CID 107231809
3-(hydroxymethyl)benzenesulfonamide
CID 23133799
3-amino-4-ethylsulfanylbenzenesulfonamide
CID 43153489
3-(2-amino-4-sulfamoylanilino)-2-hydroxypropanamide
CID 106166600
3-amino-4-[(2-ethyl-2-hydroxybutyl)amino]benzenesulfonamide
CID 65102697
3-amino-4-[3-hydroxypropyl(propan-2-yl)amino]benzenesulfonamide
CID 54993716
3-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 54995094

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-(hydroxymethyl)benzenesulfonamide (CID 67323774) is 3-amino-4-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-(hydroxymethyl)benzenesulfonamide is Nc1cc(S(N)(=O)=O)ccc1CO.
What is the InChIKey of 3-amino-4-(hydroxymethyl)benzenesulfonamide?
The InChIKey is WYKWYZVVLRRJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S/c8-7-3-6(13(9,11)12)2-1-5(7)4-10/h1-3,10H,4,8H2,(H2,9,11,12).
What are the key properties of 3-amino-4-(hydroxymethyl)benzenesulfonamide?
3-amino-4-(hydroxymethyl)benzenesulfonamide has a molecular weight of 202.24 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 67323774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).