4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C22H22N2O4S — CID 20666691

IUPAC4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c25-16-20(15-17-7-3-1-4-8-17)23-22(26)18-11-13-19(14-12-18)24-29(27,28)21-9-5-2-6-10-21/h1-14,20,24-25H,15-16H2,(H,23,26)/t20-/m0/s1
InChIKeyIENVCFQTGJOWKZ-FQEVSTJZSA-N
MW410.50 g/mol
LogP2.82
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide

4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 20666691) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID20666691
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S/c25-16-20(15-17-7-3-1-4-8-17)23-22(26)18-11-13-19(14-12-18)24-29(27,28)21-9-5-2-6-10-21/h1-14,20,24-25H,15-16H2,(H,23,26)/t20-/m0/s1
InChIKeyIENVCFQTGJOWKZ-FQEVSTJZSA-N
XLogP2.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 102673732
4-(benzenesulfonamido)-N-phenylmethoxybenzamide
CID 18129482
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
3,4-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102103629
N-benzyl-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386320
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 110205774
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]anthracene-2-carboxamide
CID 101341857
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-iodobenzamide
CID 107861091
4-(benzenesulfonamido)-N-(1-cyclopropylethyl)benzamide
CID 84975243
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 107861304

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 20666691) is 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide is O=C(N[C@H](CO)Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is IENVCFQTGJOWKZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-16-20(15-17-7-3-1-4-8-17)23-22(26)18-11-13-19(14-12-18)24-29(27,28)21-9-5-2-6-10-21/h1-14,20,24-25H,15-16H2,(H,23,26)/t20-/m0/s1.
What are the key properties of 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 410.50 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 20666691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).