N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide

C19H24N2O2S — CID 3787959

IUPACN-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide
SMILESCCCCCC/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-2-3-4-11-16-20-19(17-12-7-5-8-13-17)21-24(22,23)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3,(H,20,21)
InChIKeyIYRPOKFCODWZQU-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.99
Rot. Bonds8

About N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide

N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide (PubChem CID 3787959) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide
PubChem CID3787959
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide
SMILESCCCCCC/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24N2O2S/c1-2-3-4-11-16-20-19(17-12-7-5-8-13-17)21-24(22,23)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3,(H,20,21)
InChIKeyIYRPOKFCODWZQU-UHFFFAOYSA-N
XLogP3.99
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[benzenesulfonamido(phenyl)methylidene]amino]propanoic acid
CID 2196031
1-(benzenesulfonyl)-2,3-dibutylguanidine
CID 2317105
N'-butyl-N-hydroxybenzenecarboximidamide
CID 12936228
N-hexadecyl-1-phenylethanimine
CID 102417154
2-[[[(4-methylphenyl)sulfonylamino]-phenylmethylidene]amino]acetate
CID 7164051
N-hydroxy-N'-[12-[[(hydroxyamino)-phenylmethylidene]amino]dodecyl]benzenecarboximidamide
CID 155517993
1-(benzenesulfonyl)-3-pentylurea
CID 70503180
N-tridecylbenzenesulfonamide
CID 3514704
1-[2-(benzenesulfonyl)ethyl]-2-hexylguanidine
CID 111065100
benzenesulfonic acid;nonane
CID 158294552
2,2,2-trifluoro-N-octyl-1-phenylethanimine
CID 102263374
N'-decyl-N,N-dimethylbenzenecarboximidamide
CID 525622

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide?
The IUPAC name of N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide (CID 3787959) is N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide.
What is the SMILES notation for N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide?
The canonical SMILES for N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide is CCCCCC/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide?
The InChIKey is IYRPOKFCODWZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-3-4-11-16-20-19(17-12-7-5-8-13-17)21-24(22,23)18-14-9-6-10-15-18/h5-10,12-15H,2-4,11,16H2,1H3,(H,20,21).
What are the key properties of N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide?
N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide has a molecular weight of 344.48 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N'-hexylbenzenecarboximidamide is sourced from PubChem (CID 3787959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).