2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide

C15H17N3O5S — CID 133300989

IUPAC2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC(O)Cc1ccccc1
InChIInChI=1S/C15H17N3O5S/c16-24(22,23)15-9-12(18(20)21)6-7-14(15)17-10-13(19)8-11-4-2-1-3-5-11/h1-7,9,13,17,19H,8,10H2,(H2,16,22,23)
InChIKeyZTEUHZYXYSCKOX-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.26
Rot. Bonds7

About 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide

2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide (PubChem CID 133300989) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide
PubChem CID133300989
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC(O)Cc1ccccc1
InChIInChI=1S/C15H17N3O5S/c16-24(22,23)15-9-12(18(20)21)6-7-14(15)17-10-13(19)8-11-4-2-1-3-5-11/h1-7,9,13,17,19H,8,10H2,(H2,16,22,23)
InChIKeyZTEUHZYXYSCKOX-UHFFFAOYSA-N
XLogP1.26
TPSA135.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-nitroanilino)-3-phenylpropan-2-ol
CID 166083166
2-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-5-nitrobenzenesulfonamide
CID 133308108
1-(5-amino-2-nitroanilino)-3-phenylpropan-2-ol
CID 54224879
1-(4-chloro-2-nitroanilino)-3-phenylpropan-2-ol
CID 133300983
6-(4-nitro-2-sulfamoylanilino)hexanoic acid
CID 44586646
5-nitro-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]benzenesulfonamide
CID 133379886
2-(2-amino-4-nitroanilino)-1-phenylethanol
CID 62508279
3-(2,4-dinitroanilino)-1-phenylbutan-2-ol
CID 133400322
2-(2-chloro-4-nitrophenyl)-N-(2-hydroxy-3-phenylpropyl)acetamide
CID 71917431
(2S)-1-amino-3-(2-chloro-4-nitroanilino)propan-2-ol
CID 7104383
5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 71944701
(2-hydroxy-3-phenylpropyl) 4-nitrobenzoate
CID 135006261

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide?
The IUPAC name of 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide (CID 133300989) is 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC(O)Cc1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide?
The InChIKey is ZTEUHZYXYSCKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c16-24(22,23)15-9-12(18(20)21)6-7-14(15)17-10-13(19)8-11-4-2-1-3-5-11/h1-7,9,13,17,19H,8,10H2,(H2,16,22,23).
What are the key properties of 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide?
2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide has a molecular weight of 351.38 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-3-phenylpropyl)amino]-5-nitrobenzenesulfonamide is sourced from PubChem (CID 133300989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).