1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide

C22H24N2O6S2 — CID 101191621

IUPAC1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C22H24N2O6S2/c25-15-21(17-8-3-1-4-9-17)23-31(27,28)19-12-7-13-20(14-19)32(29,30)24-22(16-26)18-10-5-2-6-11-18/h1-14,21-26H,15-16H2/t21-,22-/m1/s1
InChIKeyCIROYKBATUFNHN-FGZHOGPDSA-N
MW476.58 g/mol
LogP1.71
Rot. Bonds10

About 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide (PubChem CID 101191621) has the molecular formula C22H24N2O6S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide.

Molecular Properties

Compound Name1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
PubChem CID101191621
Molecular FormulaC22H24N2O6S2
Molecular Weight476.58 g/mol
Exact Mass476.11
IUPAC Name1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1
InChIInChI=1S/C22H24N2O6S2/c25-15-21(17-8-3-1-4-9-17)23-31(27,28)19-12-7-13-20(14-19)32(29,30)24-22(16-26)18-10-5-2-6-11-18/h1-14,21-26H,15-16H2/t21-,22-/m1/s1
InChIKeyCIROYKBATUFNHN-FGZHOGPDSA-N
XLogP1.71
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 51.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837026
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
4-bromo-3-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825685
N-(2-hydroxy-1-phenylethyl)-3,4-dimethoxybenzenesulfonamide
CID 5016211
3-amino-4-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 107861953
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
CID 63182937
3-(dimethylamino)-N-(2-hydroxy-1-phenylethyl)-4-methylbenzenesulfonamide
CID 71911398
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]pyrimidine-5-sulfonamide
CID 107862764

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide?
The IUPAC name of 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide (CID 101191621) is 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide.
What is the SMILES notation for 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide?
The canonical SMILES for 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide is O=S(=O)(N[C@H](CO)c1ccccc1)c1cccc(S(=O)(=O)N[C@H](CO)c2ccccc2)c1.
What is the InChIKey of 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide?
The InChIKey is CIROYKBATUFNHN-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H24N2O6S2/c25-15-21(17-8-3-1-4-9-17)23-31(27,28)19-12-7-13-20(14-19)32(29,30)24-22(16-26)18-10-5-2-6-11-18/h1-14,21-26H,15-16H2/t21-,22-/m1/s1.
What are the key properties of 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide?
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide has a molecular weight of 476.58 g/mol, XLogP of 1.71, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide is sourced from PubChem (CID 101191621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).