4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

C20H27NO2S — CID 84556939

IUPAC4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H27NO2S/c1-3-4-5-6-7-18-12-14-20(15-13-18)24(22,23)21-16-19-10-8-17(2)9-11-19/h8-15,21H,3-7,16H2,1-2H3
InChIKeyBJXCYHSHIHXZDL-UHFFFAOYSA-N
MW345.51 g/mol
LogP4.60
Rot. Bonds9

About 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide

4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 84556939) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID84556939
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCCCCCCc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C20H27NO2S/c1-3-4-5-6-7-18-12-14-20(15-13-18)24(22,23)21-16-19-10-8-17(2)9-11-19/h8-15,21H,3-7,16H2,1-2H3
InChIKeyBJXCYHSHIHXZDL-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-hexylphenyl)sulfonylamino]methyl]benzoic acid
CID 84556982
1-methyl-4-octylbenzene
CID 11052746
N-(1,3-benzodioxol-5-ylmethyl)-4-hexylbenzenesulfonamide
CID 84556940
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
1-methyl-4-pentylbenzene;sulfuryl dichloride
CID 174918567
4-hexyl-N-(2-hydroxypropyl)benzenesulfonamide
CID 84558138
tris[(4-hexylphenyl)-bis(4-methylphenyl)-λ4-sulfanyl] stiborate
CID 139924171
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
4-nonylbenzenesulfonate
CID 15764481
4-icosylbenzenesulfonate
CID 59513322
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 84556939) is 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is CCCCCCc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is BJXCYHSHIHXZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-3-4-5-6-7-18-12-14-20(15-13-18)24(22,23)21-16-19-10-8-17(2)9-11-19/h8-15,21H,3-7,16H2,1-2H3.
What are the key properties of 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide?
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 84556939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).