2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide

C15H18N2O3S — CID 63260686

IUPAC2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NC(CO)Cc1ccccc1
InChIInChI=1S/C15H18N2O3S/c16-21(19,20)15-9-5-4-8-14(15)17-13(11-18)10-12-6-2-1-3-7-12/h1-9,13,17-18H,10-11H2,(H2,16,19,20)
InChIKeyFKZMICNNRSTYMM-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.35
Rot. Bonds6

About 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide

2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide (PubChem CID 63260686) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
PubChem CID63260686
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NC(CO)Cc1ccccc1
InChIInChI=1S/C15H18N2O3S/c16-21(19,20)15-9-5-4-8-14(15)17-13(11-18)10-12-6-2-1-3-7-12/h1-9,13,17-18H,10-11H2,(H2,16,19,20)
InChIKeyFKZMICNNRSTYMM-UHFFFAOYSA-N
XLogP1.35
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
2-[2-(aminomethyl)-4-methylanilino]-3-phenylpropan-1-ol
CID 107926215
2-[(1-amino-4-methoxybutan-2-yl)amino]benzenesulfonamide
CID 114212293
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]benzenesulfonamide
CID 105058453
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
2-(4-bromoanilino)-3-phenylpropan-1-ol
CID 61049860
3-phenyl-2-(pyridin-4-ylamino)propan-1-ol
CID 55169769
2-[2-(aminomethyl)-5-chloroanilino]-3-phenylpropan-1-ol
CID 63272332
[2-(1-phenylbutan-2-ylamino)phenyl]methanol
CID 79007205
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoic acid
CID 80750444

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide?
The IUPAC name of 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide (CID 63260686) is 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccccc1NC(CO)Cc1ccccc1.
What is the InChIKey of 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide?
The InChIKey is FKZMICNNRSTYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-21(19,20)15-9-5-4-8-14(15)17-13(11-18)10-12-6-2-1-3-7-12/h1-9,13,17-18H,10-11H2,(H2,16,19,20).
What are the key properties of 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide?
2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 63260686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).