N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide

C17H20N2O2S — CID 2946840

IUPACN-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N/C(=N/C(C)C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(2)18-17(15-7-5-4-6-8-15)19-22(20,21)16-11-9-14(3)10-12-16/h4-13H,1-3H3,(H,18,19)
InChIKeyZAVQDWLXHJFEOT-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.13
Rot. Bonds4

About N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide

N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide (PubChem CID 2946840) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide
PubChem CID2946840
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide
SMILESCc1ccc(S(=O)(=O)N/C(=N/C(C)C)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2S/c1-13(2)18-17(15-7-5-4-6-8-15)19-22(20,21)16-11-9-14(3)10-12-16/h4-13H,1-3H3,(H,18,19)
InChIKeyZAVQDWLXHJFEOT-UHFFFAOYSA-N
XLogP3.13
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.13
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

4-((Benzylideneamino)methyl)benzenesulfonamide
CID 45483206
Ambcb5850328
CID 9586083
4-methyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 3899892
N-(benzenesulfonyl)-N'-(2-cyanoethyl)benzenecarboximidamide
CID 2305296
{[Phenyl-(toluene-4-sulfonylimino)-methyl]-amino}-acetic acid
CID 2177174
N-(benzenesulfonyl)-N'-cyclohexyl-2-fluorobenzenecarboximidamide
CID 4414226
1,2-Benzisothiazol-3-amine, N-(phenylmethyl)-, 1,1-dioxide
CID 135401644
N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride
CID 25231830
4-(Diaminomethylene-sulfamoyl)-benzamidine
CID 44296439
4-((4-Tert-butylbenzylideneamino)methyl)benzenesulfonamide
CID 45483207
4-{2-[(E)-Benzylideneamino]ethyl}benzene-1-sulfonamide
CID 71415156
4-[(Benzylideneamino)methyl]benzenesulfonamide;hydrochloride
CID 90677341

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide (CID 2946840) is N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide is Cc1ccc(S(=O)(=O)N/C(=N/C(C)C)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide?
The InChIKey is ZAVQDWLXHJFEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13(2)18-17(15-7-5-4-6-8-15)19-22(20,21)16-11-9-14(3)10-12-16/h4-13H,1-3H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide?
N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide has a molecular weight of 316.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-N'-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 2946840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).