4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide

C9H14N2O4S — CID 59446956

IUPAC4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC(O)CO)cc1
InChIInChI=1S/C9H14N2O4S/c10-7-1-3-9(4-2-7)16(14,15)11-5-8(13)6-12/h1-4,8,11-13H,5-6,10H2
InChIKeyFGJFVWGYVQKMSE-UHFFFAOYSA-N
MW246.29 g/mol
LogP-1.10
Rot. Bonds5

About 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide

4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide (PubChem CID 59446956) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide
PubChem CID59446956
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCC(O)CO)cc1
InChIInChI=1S/C9H14N2O4S/c10-7-1-3-9(4-2-7)16(14,15)11-5-8(13)6-12/h1-4,8,11-13H,5-6,10H2
InChIKeyFGJFVWGYVQKMSE-UHFFFAOYSA-N
XLogP-1.10
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide (CID 59446956) is 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NCC(O)CO)cc1.
What is the InChIKey of 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide?
The InChIKey is FGJFVWGYVQKMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c10-7-1-3-9(4-2-7)16(14,15)11-5-8(13)6-12/h1-4,8,11-13H,5-6,10H2.
What are the key properties of 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide?
4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide has a molecular weight of 246.29 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 59446956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).