1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide

C16H20N2O2S — CID 57312361

IUPAC1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(Cc1cc(N)ccc1-c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C16H20N2O2S/c1-16(2,21(18,19)20)11-13-10-14(17)8-9-15(13)12-6-4-3-5-7-12/h3-10H,11,17H2,1-2H3,(H2,18,19,20)
InChIKeyLXNGKKSNXHJMFI-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.55
Rot. Bonds4

About 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide

1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide (PubChem CID 57312361) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide
PubChem CID57312361
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(Cc1cc(N)ccc1-c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C16H20N2O2S/c1-16(2,21(18,19)20)11-13-10-14(17)8-9-15(13)12-6-4-3-5-7-12/h3-10H,11,17H2,1-2H3,(H2,18,19,20)
InChIKeyLXNGKKSNXHJMFI-UHFFFAOYSA-N
XLogP2.55
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-phenylbenzenesulfonyl fluoride
CID 142017991
3-(2,2-dimethylpropyl)-4-phenylphenol
CID 91175347
4-phenyl-3-[tris(5-amino-2-phenylphenyl)methyl]aniline
CID 167435359
3-(aminomethyl)-4-phenylbenzenesulfonamide
CID 143636472
3-ethyl-4-phenylbenzenesulfonyl chloride
CID 87181125
5-amino-2-(4-aminophenyl)benzenesulfonamide
CID 102079717
[5-(2,2-dimethylpropyl)-2-phenylphenyl]methanamine
CID 68534451
carbamic acid;3-methyl-4-phenylaniline
CID 175552466
4-phenyl-3-(trifluoromethyl)aniline
CID 16768764
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
1-[4-[4-amino-2-(3-phenylprop-2-enyl)phenyl]phenyl]ethanone
CID 69412326
3-chloro-4-phenylaniline;hydrochloride
CID 91622859

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide (CID 57312361) is 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide is CC(C)(Cc1cc(N)ccc1-c1ccccc1)S(N)(=O)=O.
What is the InChIKey of 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide?
The InChIKey is LXNGKKSNXHJMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,21(18,19)20)11-13-10-14(17)8-9-15(13)12-6-4-3-5-7-12/h3-10H,11,17H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide?
1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-phenylphenyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 57312361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).