4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide

C20H21N3O2S — CID 89035973

IUPAC4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c21-17-11-13-18(14-12-17)26(24,25)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,19-20,23H,21-22H2/t19-,20-/m0/s1
InChIKeyCSRTTYSBQMXEKN-PMACEKPBSA-N
MW367.47 g/mol
LogP2.99
Rot. Bonds6

About 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide

4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide (PubChem CID 89035973) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide
PubChem CID89035973
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c21-17-11-13-18(14-12-17)26(24,25)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,19-20,23H,21-22H2/t19-,20-/m0/s1
InChIKeyCSRTTYSBQMXEKN-PMACEKPBSA-N
XLogP2.99
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonic acid
CID 58915462
N-(2-amino-1,2-diphenylethyl)-4-chlorobenzenesulfonamide
CID 23443554
N-[(1R,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 45357622
N-(2-amino-1,2-diphenylethyl)-4-methylbenzenesulfonamide;hydrochloride
CID 75110683
1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
CID 23020097
N-[(1R,2R)-2-amino-1,2-diphenylethyl]naphthalene-2-sulfonamide;benzene;ruthenium
CID 87738093
sodium 2-[[(1S,2S)-2-amino-1,2-diphenylethyl]sulfamoyl]benzenesulfonate
CID 58915463
N-[(1S,2S)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide;ruthenium;1,2,4-trimethylbenzene
CID 87738229
5-[[(1R,2R)-2-amino-1,2-diphenylethyl]sulfamoyl]-2-sulfobenzoic acid
CID 58915465
N-(2-amino-1,2-diphenylethyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 23070407
N-[(1S)-2-amino-1,2-diphenylethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 90254730

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide (CID 89035973) is 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.
What is the InChIKey of 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide?
The InChIKey is CSRTTYSBQMXEKN-PMACEKPBSA-N. The full InChI is InChI=1S/C20H21N3O2S/c21-17-11-13-18(14-12-17)26(24,25)23-20(16-9-5-2-6-10-16)19(22)15-7-3-1-4-8-15/h1-14,19-20,23H,21-22H2/t19-,20-/m0/s1.
What are the key properties of 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide?
4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S,2S)-2-amino-1,2-diphenylethyl]benzenesulfonamide is sourced from PubChem (CID 89035973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).