[(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium

C21H22ClN2O2S+ — CID 2560224

IUPAC[(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium
SMILESO=S(=O)(N[C@H](C[NH2+]Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21ClN2O2S/c22-19-13-11-17(12-14-19)15-23-16-21(18-7-3-1-4-8-18)24-27(25,26)20-9-5-2-6-10-20/h1-14,21,23-24H,15-16H2/p+1/t21-/m1/s1
InChIKeyUUSFCAKNJJYTTN-OAQYLSRUSA-O
MW401.94 g/mol
LogP3.12
Rot. Bonds8

About [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium

[(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium (PubChem CID 2560224) has the molecular formula C21H22ClN2O2S+ and a molecular weight of 401.94 g/mol. Its IUPAC name is [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium.

Molecular Properties

Compound Name[(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium
PubChem CID2560224
Molecular FormulaC21H22ClN2O2S+
Molecular Weight401.94 g/mol
Exact Mass401.11
IUPAC Name[(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium
SMILESO=S(=O)(N[C@H](C[NH2+]Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21ClN2O2S/c22-19-13-11-17(12-14-19)15-23-16-21(18-7-3-1-4-8-18)24-27(25,26)20-9-5-2-6-10-20/h1-14,21,23-24H,15-16H2/p+1/t21-/m1/s1
InChIKeyUUSFCAKNJJYTTN-OAQYLSRUSA-O
XLogP3.12
TPSA62.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-amino-1-(4-phenylphenyl)ethyl]-4-chlorobenzenesulfonamide
CID 139608957
N-[1-(4-chlorophenyl)-3-phenylpropyl]-4-methylbenzenesulfonamide
CID 102575603
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide
CID 25358097
N-[(1R)-2-(benzhydrylamino)-1-phenylethyl]benzenesulfonamide
CID 1369382
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
4-chloro-N-[(2R)-2-phenyl-2-(2-phenylhydrazinyl)ethyl]benzenesulfonamide
CID 51567307
N-[3-(4-benzylpiperazin-1-yl)-1-(4-chlorophenyl)-3-oxopropyl]benzenesulfonamide
CID 140607836
4-[4-[1-[(4-chlorophenyl)sulfonylamino]-6-phenylhexyl]phenyl]butanoic acid
CID 23353783
2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64640001
N-(2-diphenylphosphoryl-1-phenylethyl)benzenesulfonamide
CID 11091802

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium?
The IUPAC name of [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium (CID 2560224) is [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium.
What is the SMILES notation for [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium?
The canonical SMILES for [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium is O=S(=O)(N[C@H](C[NH2+]Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium?
The InChIKey is UUSFCAKNJJYTTN-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H21ClN2O2S/c22-19-13-11-17(12-14-19)15-23-16-21(18-7-3-1-4-8-18)24-27(25,26)20-9-5-2-6-10-20/h1-14,21,23-24H,15-16H2/p+1/t21-/m1/s1.
What are the key properties of [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium?
[(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium has a molecular weight of 401.94 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(benzenesulfonamido)-2-phenylethyl]-[(4-chlorophenyl)methyl]azanium is sourced from PubChem (CID 2560224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).