N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide

C27H26N2O2S — CID 1230083

IUPACN-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O2S/c30-32(31,25-19-11-4-12-20-25)28-21-26(22-13-5-1-6-14-22)29-27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-29H,21H2/t26-/m1/s1
InChIKeyRXOPQHNFFUUELV-AREMUKBSSA-N
MW442.58 g/mol
LogP5.09
Rot. Bonds9

About N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide

N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide (PubChem CID 1230083) has the molecular formula C27H26N2O2S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide
PubChem CID1230083
Molecular FormulaC27H26N2O2S
Molecular Weight442.58 g/mol
Exact Mass442.17
IUPAC NameN-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26N2O2S/c30-32(31,25-19-11-4-12-20-25)28-21-26(22-13-5-1-6-14-22)29-27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-29H,21H2/t26-/m1/s1
InChIKeyRXOPQHNFFUUELV-AREMUKBSSA-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-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide
CID 1369382
4-chloro-N-[(2R)-2-phenyl-2-(2-phenylhydrazinyl)ethyl]benzenesulfonamide
CID 51567307
N-(2-hydroxy-2-phenylethyl)-4-phenylbenzenesulfonamide
CID 3731751
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-phenylethyl]benzenesulfonamide
CID 4855525
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
N-[(2S)-2-(4-benzhydrylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 1106178
N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97248769
N-benzhydryl-1,2-diphenylethanamine
CID 101366117
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-(2-chloro-2-phenylethyl)-4-methylbenzenesulfonamide
CID 11220593
3-(benzenesulfonamido)-2-phenoxypropanoic acid
CID 21178348

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide (CID 1230083) is N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide is O=S(=O)(NC[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide?
The InChIKey is RXOPQHNFFUUELV-AREMUKBSSA-N. The full InChI is InChI=1S/C27H26N2O2S/c30-32(31,25-19-11-4-12-20-25)28-21-26(22-13-5-1-6-14-22)29-27(23-15-7-2-8-16-23)24-17-9-3-10-18-24/h1-20,26-29H,21H2/t26-/m1/s1.
What are the key properties of N-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide?
N-[(2S)-2-(benzhydrylamino)-2-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-[(2S)-2-(benzhydrylamino)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 1230083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).