N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide

C17H22N2O2S2 — CID 3271559

IUPACN-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=NS(=O)(=O)c2ccccc2)NC(C)(C)C)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-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide

N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide (PubChem CID 3271559) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide.

Molecular Properties

Compound NameN-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide
PubChem CID3271559
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC NameN-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide
SMILESCc1ccc(S(=NS(=O)(=O)c2ccccc2)NC(C)(C)C)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 Acceptors2
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 ≤ 102

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Related Compounds

N-[N-tert-butyl-S-(4-methylphenyl)sulfinimidoyl]benzenesulfonamide
CID 123783017
(NE)-N-[benzyl(phenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6436773
(NE)-4-methyl-N-[(4-methylphenyl)-[(Z)-2-phenylethenyl]-λ4-sulfanylidene]benzenesulfonamide
CID 15968302
4-methyl-N-[phenyl-[(E)-prop-1-enyl]-λ4-sulfanylidene]benzenesulfonamide
CID 92533909
4-methyl-N-[oxo(diphenyl)-λ6-sulfanylidene]benzenesulfonamide
CID 12506494
N-(4-methylphenyl)iminobenzenesulfonamide
CID 10869025
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene
CID 10825129
N-[(2-bromophenyl)-methyl-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 85398945
(NE)-4-methyl-N-[methyl-(4-nitrophenyl)-λ4-sulfanylidene]benzenesulfonamide
CID 11151913
N-[(4E)-3,4-bis(benzenesulfonylimino)-6-[(4-methylphenyl)sulfonylamino]cyclohexa-1,5-dien-1-yl]-4-methylbenzenesulfonamide
CID 21240674
(NZ)-N-[(2,2-dichlorocyclopropyl)methyl-(4-methylphenyl)-λ4-sulfanylidene]-4-methylbenzenesulfonamide
CID 6098605

Frequently Asked Questions

What is the IUPAC name of N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide?
The IUPAC name of N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide (CID 3271559) is N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide.
What is the SMILES notation for N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide?
The canonical SMILES for N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide is Cc1ccc(S(=NS(=O)(=O)c2ccccc2)NC(C)(C)C)cc1.
What is the InChIKey of N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]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-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide?
N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide has a molecular weight of 350.51 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(tert-butylamino)-(4-methylphenyl)-lambda4-sulfanylidene]benzenesulfonamide is sourced from PubChem (CID 3271559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).