N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide

C27H26N2O2S — CID 1369382

IUPACN-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CNC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O2S/c30-32(31,25-19-11-4-12-20-25)29-26(22-13-5-1-6-14-22)21-28-27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-29H,21H2/t26-/m0/s1
InChIKeyYVIDMNAOVNPKEF-SANMLTNESA-N
MW442.58 g/mol
LogP5.09
Rot. Bonds9

About N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide

N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide (PubChem CID 1369382) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide
PubChem CID1369382
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC NameN-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CNC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O2S/c30-32(31,25-19-11-4-12-20-25)29-26(22-13-5-1-6-14-22)21-28-27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-29H,21H2/t26-/m0/s1
InChIKeyYVIDMNAOVNPKEF-SANMLTNESA-N
XLogP5.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.58
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide
CID 11091802
N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide
CID 1230083
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
N-[(Z)-4-deuterio-1-phenylpent-3-enyl]benzenesulfonamide
CID 10968664
N-benzhydryl-4-phenylbenzenesulfonamide
CID 3504321
N-(2-amino-1-phenylethyl)-4-methylbenzenesulfonamide
CID 18003405
N'-benzhydrylmethanediamine
CID 142515957
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844896
N-(2-hydroxy-1-phenylethyl)-4-propan-2-ylbenzenesulfonamide
CID 4204448
2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetic acid
CID 67841348
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
N-[(1S)-2-methyl-1-phenylpropyl]benzenesulfonamide
CID 40522121

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide (CID 1369382) is N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide is O=S(=O)(N[C@@H](CNC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide?
The InChIKey is YVIDMNAOVNPKEF-SANMLTNESA-N. The full InChI is InChI=1S/C27H26N2O2S/c30-32(31,25-19-11-4-12-20-25)29-26(22-13-5-1-6-14-22)21-28-27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-29H,21H2/t26-/m0/s1.
What are the key properties of N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide?
N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide has a molecular weight of 442.58 g/mol, XLogP of 5.09, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 1369382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).