N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide

C17H19ClN2O2S — CID 2830707

IUPACN'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide
SMILESCC(C)(C)/N=C(/NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O2S/c1-17(2,3)19-16(13-7-5-4-6-8-13)20-23(21,22)15-11-9-14(18)10-12-15/h4-12H,1-3H3,(H,19,20)
InChIKeyIJKCPKMBRGFIBO-UHFFFAOYSA-N
MW350.87 g/mol
LogP3.86
Rot. Bonds3

About N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide

N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide (PubChem CID 2830707) has the molecular formula C17H19ClN2O2S and a molecular weight of 350.87 g/mol. Its IUPAC name is N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide
PubChem CID2830707
Molecular FormulaC17H19ClN2O2S
Molecular Weight350.87 g/mol
Exact Mass350.09
IUPAC NameN'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide
SMILESCC(C)(C)/N=C(/NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O2S/c1-17(2,3)19-16(13-7-5-4-6-8-13)20-23(21,22)15-11-9-14(18)10-12-15/h4-12H,1-3H3,(H,19,20)
InChIKeyIJKCPKMBRGFIBO-UHFFFAOYSA-N
XLogP3.86
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 53.86
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

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N'-(4-chlorophenyl)sulfonyl-N-(3,5-ditert-butyl-4-hydroxyphenyl)benzenecarboximidamide
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2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate
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4-[[(Z)-N-(4-chlorophenyl)sulfonyl-C-phenylcarbonimidoyl]amino]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide (CID 2830707) is N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide is CC(C)(C)/N=C(/NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide?
The InChIKey is IJKCPKMBRGFIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S/c1-17(2,3)19-16(13-7-5-4-6-8-13)20-23(21,22)15-11-9-14(18)10-12-15/h4-12H,1-3H3,(H,19,20).
What are the key properties of N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide?
N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide has a molecular weight of 350.87 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(4-chlorophenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2830707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).