N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide

C19H22N2O2S — CID 177097702

IUPACN-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide
SMILESCCC(CC(C)c1ccc(S(=O)(=O)N=C=N)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-3-16(18-7-5-4-6-8-18)13-15(2)17-9-11-19(12-10-17)24(22,23)21-14-20/h4-12,15-16,20H,3,13H2,1-2H3
InChIKeyHBPIEGQPBYNEHE-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.82
Rot. Bonds7

About N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide

N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide (PubChem CID 177097702) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide
PubChem CID177097702
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide
SMILESCCC(CC(C)c1ccc(S(=O)(=O)N=C=N)cc1)c1ccccc1
InChIInChI=1S/C19H22N2O2S/c1-3-16(18-7-5-4-6-8-18)13-15(2)17-9-11-19(12-10-17)24(22,23)21-14-20/h4-12,15-16,20H,3,13H2,1-2H3
InChIKeyHBPIEGQPBYNEHE-UHFFFAOYSA-N
XLogP4.82
TPSA70.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-phenylhexan-3-yl)benzenesulfonic acid
CID 18731128
magnesium 4-[6-phenyl-4-(4-sulfonatophenyl)octan-2-yl]benzenesulfonate
CID 172972808
sodium 4-[4-(4-phenylhexan-2-yl)phenoxy]butane-1-sulfonate
CID 20717984
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
4-[4,6,8,10,12,14,16,18,20,22,24,26,28,30-tetradecakis(4-sulfonatophenyl)dotriacontan-2-yl]benzenesulfonate
CID 170529004
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
CID 134214907
bis(butan-2-ylbenzene);[(2S)-4,6-diphenyloctan-2-yl]benzene;ethane;[(5R)-1-ethyl-3-methyl-5-phenylhexyl]benzene;methanesulfonate;2-methylbutane
CID 158207148
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
CID 143858458
1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
CID 154824840
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386

Frequently Asked Questions

What is the IUPAC name of N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide?
The IUPAC name of N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide (CID 177097702) is N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide is CCC(CC(C)c1ccc(S(=O)(=O)N=C=N)cc1)c1ccccc1.
What is the InChIKey of N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide?
The InChIKey is HBPIEGQPBYNEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-3-16(18-7-5-4-6-8-18)13-15(2)17-9-11-19(12-10-17)24(22,23)21-14-20/h4-12,15-16,20H,3,13H2,1-2H3.
What are the key properties of N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide?
N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide has a molecular weight of 342.46 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iminomethylidene)-4-(4-phenylhexan-2-yl)benzenesulfonamide is sourced from PubChem (CID 177097702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).