2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide

C15H18N2O3S — CID 105058453

IUPAC2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
SMILESCC(CO)(Nc1ccccc1S(N)(=O)=O)c1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-15(11-18,12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)21(16,19)20/h2-10,17-18H,11H2,1H3,(H2,16,19,20)
InChIKeyMDVHDUFIXNWXRL-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.65
Rot. Bonds5

About 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide

2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide (PubChem CID 105058453) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
PubChem CID105058453
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
SMILESCC(CO)(Nc1ccccc1S(N)(=O)=O)c1ccccc1
InChIInChI=1S/C15H18N2O3S/c1-15(11-18,12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)21(16,19)20/h2-10,17-18H,11H2,1H3,(H2,16,19,20)
InChIKeyMDVHDUFIXNWXRL-UHFFFAOYSA-N
XLogP1.65
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-hydroxy-2,2-dimethylpropyl)amino]benzenesulfonamide
CID 115360899
2-(4-amino-2-bromoanilino)-2-phenylpropan-1-ol
CID 105057734
2-(4-amino-2-methylanilino)-2-phenylpropan-1-ol
CID 105057718
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
2-(2-amino-5-bromoanilino)-2-phenylpropan-1-ol
CID 105057762
2-cyclopropyl-2-(2-sulfamoylanilino)propanoic acid
CID 64668276
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
2-chloro-6-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzonitrile
CID 105058533
2-(2-tert-butylsulfonylethylamino)-2-phenylpropan-1-ol
CID 103713971
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide (CID 105058453) is 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide is CC(CO)(Nc1ccccc1S(N)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide?
The InChIKey is MDVHDUFIXNWXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-15(11-18,12-7-3-2-4-8-12)17-13-9-5-6-10-14(13)21(16,19)20/h2-10,17-18H,11H2,1H3,(H2,16,19,20).
What are the key properties of 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide?
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 105058453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).