(1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide

C18H24N2O4S2 — CID 92524263

IUPAC(1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide
SMILESCN(C)S(=O)(=O)[C@H](c1ccccc1)[C@H](c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C18H24N2O4S2/c1-19(2)25(21,22)17(15-11-7-5-8-12-15)18(26(23,24)20(3)4)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3/t17-,18+
InChIKeyDALYXFSTQTWNEA-HDICACEKSA-N
MW396.53 g/mol
LogP2.25
Rot. Bonds7

About (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide

(1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide (PubChem CID 92524263) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide.

Molecular Properties

Compound Name(1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide
PubChem CID92524263
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name(1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide
SMILESCN(C)S(=O)(=O)[C@H](c1ccccc1)[C@H](c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C18H24N2O4S2/c1-19(2)25(21,22)17(15-11-7-5-8-12-15)18(26(23,24)20(3)4)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3/t17-,18+
InChIKeyDALYXFSTQTWNEA-HDICACEKSA-N
XLogP2.25
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-1,2-diphenylethanamine
CID 55112040
(1R,2S)-2-amino-1-phenylpropane-1-sulfonic acid
CID 96955814
2-amino-1-phenylpropane-1-sulfonyl fluoride
CID 87118125
(1R,2R)-2-amino-1-phenylpropane-1-sulfonic acid
CID 50914072
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
[2-chloro-1-(dimethylsulfamoylamino)ethyl]benzene
CID 65030819
(2,2-diphenylacetyl)-methylsulfamic acid
CID 174462025
[2-(dimethylsulfamoylamino)-2-phenylethyl]benzene
CID 42955151
1-chloro-4-[(dimethylsulfamoylamino)-phenylmethyl]benzene
CID 73038177
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
phenyl(phosphanyl)methanesulfonic acid
CID 150026989

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide?
The IUPAC name of (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide (CID 92524263) is (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide.
What is the SMILES notation for (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide?
The canonical SMILES for (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide is CN(C)S(=O)(=O)[C@H](c1ccccc1)[C@H](c1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide?
The InChIKey is DALYXFSTQTWNEA-HDICACEKSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-19(2)25(21,22)17(15-11-7-5-8-12-15)18(26(23,24)20(3)4)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3/t17-,18+.
What are the key properties of (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide?
(1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-N,N,N',N'-tetramethyl-1,2-diphenylethane-1,2-disulfonamide is sourced from PubChem (CID 92524263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).