N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide

C19H24N2O2S — CID 3789425

IUPACN-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(/NS(=O)(=O)c1cc(C(C)(C)C)ccc1C)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-14-11-12-16(19(2,3)4)13-17(14)24(22,23)21-18(20-5)15-9-7-6-8-10-15/h6-13H,1-5H3,(H,20,21)
InChIKeyPGLNDTGMNAXCEJ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.65
Rot. Bonds3

About N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide

N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide (PubChem CID 3789425) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide
PubChem CID3789425
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide
SMILESC/N=C(/NS(=O)(=O)c1cc(C(C)(C)C)ccc1C)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-14-11-12-16(19(2,3)4)13-17(14)24(22,23)21-18(20-5)15-9-7-6-8-10-15/h6-13H,1-5H3,(H,20,21)
InChIKeyPGLNDTGMNAXCEJ-UHFFFAOYSA-N
XLogP3.65
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)sulfonyl-N'-methylbenzenecarboximidamide
CID 3583091
(2R)-2-[(5-tert-butyl-2-methylphenyl)sulfonylamino]propanoic acid
CID 78972782
N'-(5-tert-butyl-2-methylphenyl)sulfonyl-N,N-diethylbenzenecarboximidamide
CID 4271791
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
N-(5-tert-butyl-2-methylphenyl)sulfonyloxane-2-carboxamide
CID 154781593
4-tert-butyl-1-methyl-2-methylsulfonylbenzene
CID 123141469
3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 79027133
5-tert-butyl-2-methyl-N-[(E)-(2-nitrophenyl)methylideneamino]benzenesulfonamide
CID 110515961
N-(5-tert-butyl-2-methylphenyl)sulfonyl-2-methyl-1,3-thiazole-5-carboxamide
CID 56528260
5-tert-butyl-N-ethoxy-2-methylbenzenesulfonamide
CID 115279308
5-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]benzenesulfonamide
CID 110515967
5-tert-butyl-2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110515925

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide?
The IUPAC name of N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide (CID 3789425) is N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide.
What is the SMILES notation for N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide?
The canonical SMILES for N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide is C/N=C(/NS(=O)(=O)c1cc(C(C)(C)C)ccc1C)c1ccccc1.
What is the InChIKey of N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide?
The InChIKey is PGLNDTGMNAXCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-11-12-16(19(2,3)4)13-17(14)24(22,23)21-18(20-5)15-9-7-6-8-10-15/h6-13H,1-5H3,(H,20,21).
What are the key properties of N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide?
N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide has a molecular weight of 344.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 3789425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).