2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide

C15H18N2O5S — CID 168595239

IUPAC2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccccc1NCC(O)CO
InChIInChI=1S/C15H18N2O5S/c18-10-13(20)9-16-14-3-1-2-4-15(14)23(21,22)17-11-5-7-12(19)8-6-11/h1-8,13,16-20H,9-10H2
InChIKeyBTZHEGNWEYHCSD-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.96
Rot. Bonds7

About 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide

2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide (PubChem CID 168595239) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide
PubChem CID168595239
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccccc1NCC(O)CO
InChIInChI=1S/C15H18N2O5S/c18-10-13(20)9-16-14-3-1-2-4-15(14)23(21,22)17-11-5-7-12(19)8-6-11/h1-8,13,16-20H,9-10H2
InChIKeyBTZHEGNWEYHCSD-UHFFFAOYSA-N
XLogP0.96
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-hydroxyphenyl)sulfamoyl]phenyl]formamide
CID 168652543
3-[2-(difluoromethylsulfonyl)anilino]propane-1,2-diol
CID 66177121
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone
CID 168596127
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
3-[(6-hydroxynaphthalen-1-yl)amino]propane-1,2-diol
CID 168593345
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
5-chloro-2-(2,3-dihydroxypropylamino)benzenesulfonic acid
CID 168593744

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide (CID 168595239) is 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1ccccc1NCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide?
The InChIKey is BTZHEGNWEYHCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c18-10-13(20)9-16-14-3-1-2-4-15(14)23(21,22)17-11-5-7-12(19)8-6-11/h1-8,13,16-20H,9-10H2.
What are the key properties of 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide?
2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide has a molecular weight of 338.39 g/mol, XLogP of 0.96, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-N-(4-hydroxyphenyl)benzenesulfonamide is sourced from PubChem (CID 168595239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).