N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide

C17H22N2O2S2 — CID 123783017

IUPACN-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide
SMILESCc1ccc(/S(=N\C(C)(C)C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H22N2O2S2/c1-14-10-12-15(13-11-14)22(18-17(2,3)4)19-23(20,21)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,18,19)
InChIKeyWUBDCSNRGDIUSR-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.85
Rot. Bonds4

About N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide

N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide (PubChem CID 123783017) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide
PubChem CID123783017
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC NameN-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide
SMILESCc1ccc(/S(=N\C(C)(C)C)NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H22N2O2S2/c1-14-10-12-15(13-11-14)22(18-17(2,3)4)19-23(20,21)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,18,19)
InChIKeyWUBDCSNRGDIUSR-UHFFFAOYSA-N
XLogP3.85
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide
CID 3271559
1-methyl-4-(sulfinatosulfamoyl)benzene
CID 57311516
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
N-[2-(4-tert-butylphenyl)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 163217184
N-[(1S)-2-hydroxy-2-methyl-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 26599279
1-methyl-4-(sulfinosulfamoyl)benzene
CID 57311517
N-[(Z)-(4-methylphenyl)methylideneamino]benzenesulfonamide
CID 5387407
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
N-[[dimethyl(phenyl)silyl]-diphenylmethyl]-4-methylbenzenesulfonamide
CID 102294028
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene
CID 10825129
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751

Frequently Asked Questions

What is the IUPAC name of N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide?
The IUPAC name of N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide (CID 123783017) is N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide.
What is the SMILES notation for N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide?
The canonical SMILES for N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide is Cc1ccc(/S(=N\C(C)(C)C)NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide?
The InChIKey is WUBDCSNRGDIUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-14-10-12-15(13-11-14)22(18-17(2,3)4)19-23(20,21)16-8-6-5-7-9-16/h5-13H,1-4H3,(H,18,19).
What are the key properties of N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide?
N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide has a molecular weight of 350.51 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide is sourced from PubChem (CID 123783017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).