(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide

C20H19NOS — CID 171487084

IUPAC(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide
SMILESCc1cccc(C)c1N[S@@](=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NOS/c1-15-7-6-8-16(2)20(15)21-23(22)19-13-11-18(12-14-19)17-9-4-3-5-10-17/h3-14,21H,1-2H3/t23-/m0/s1
InChIKeySBUZXCCSFMTFBP-QHCPKHFHSA-N
MW321.45 g/mol
LogP5.11
Rot. Bonds4

About (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide

(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide (PubChem CID 171487084) has the molecular formula C20H19NOS and a molecular weight of 321.45 g/mol. Its IUPAC name is (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide.

Molecular Properties

Compound Name(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide
PubChem CID171487084
Molecular FormulaC20H19NOS
Molecular Weight321.45 g/mol
Exact Mass321.12
IUPAC Name(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide
SMILESCc1cccc(C)c1N[S@@](=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NOS/c1-15-7-6-8-16(2)20(15)21-23(22)19-13-11-18(12-14-19)17-9-4-3-5-10-17/h3-14,21H,1-2H3/t23-/m0/s1
InChIKeySBUZXCCSFMTFBP-QHCPKHFHSA-N
XLogP5.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-[(2S)-1-hydroxypropan-2-yl]phenyl]-4-phenylbenzenesulfinamide
CID 134478846
1-(cyclodecapentaenyl)-5-methylcyclodeca-1,3,5,7,9-pentaene
CID 123859615
3-[4-[(4-methylphenyl)sulfinylamino]naphthalen-1-yl]benzoic acid
CID 118964357
N-(5-methyl-1,2-oxazol-3-yl)-4-[3-(trifluoromethyl)phenyl]benzenesulfinamide
CID 142872026
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1,1'-biphenyl;toluene
CID 18366440
N-(4-bromo-2-methylphenyl)benzenesulfinamide;ethane
CID 143024754
N'-[1-(2,6-dimethylphenyl)ethyl]-4-methylbenzenesulfinohydrazide
CID 176557213
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
N-(2-ethyl-6-methylphenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762283
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364

Frequently Asked Questions

What is the IUPAC name of (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide?
The IUPAC name of (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide (CID 171487084) is (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide.
What is the SMILES notation for (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide?
The canonical SMILES for (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide is Cc1cccc(C)c1N[S@@](=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide?
The InChIKey is SBUZXCCSFMTFBP-QHCPKHFHSA-N. The full InChI is InChI=1S/C20H19NOS/c1-15-7-6-8-16(2)20(15)21-23(22)19-13-11-18(12-14-19)17-9-4-3-5-10-17/h3-14,21H,1-2H3/t23-/m0/s1.
What are the key properties of (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide?
(S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide has a molecular weight of 321.45 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(2,6-dimethylphenyl)-4-phenylbenzenesulfinamide is sourced from PubChem (CID 171487084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).