N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide

C15H25NO2S — CID 110288710

IUPACN-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCCc1ccc(C)cc1
InChIInChI=1S/C15H25NO2S/c1-3-4-13-19(17,18)16-12-6-5-7-15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3
InChIKeySSRVJLDVHCUBMS-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.04
Rot. Bonds9

About N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide

N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide (PubChem CID 110288710) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
PubChem CID110288710
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[4-(4-methylphenyl)butyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCCCc1ccc(C)cc1
InChIInChI=1S/C15H25NO2S/c1-3-4-13-19(17,18)16-12-6-5-7-15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3
InChIKeySSRVJLDVHCUBMS-UHFFFAOYSA-N
XLogP3.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.04
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

N-(ethylsulfamoyl)-4-(4-methylphenyl)butan-1-amine
CID 110627926
1-methyl-4-pentylbenzene;sulfuryl dichloride
CID 174918567
N-decylbutane-1-sulfonamide
CID 19681427
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-[3-(4-hydroxyphenyl)propyl]-1-(4-methylphenyl)methanesulfonamide
CID 110603663
1-methyl-4-octylbenzene
CID 11052746
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
N-[4-(3-chlorophenyl)butyl]propane-1-sulfonamide
CID 110601627
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
N-(4-pyridin-3-ylbutyl)propane-1-sulfonamide
CID 110661317
N-octyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479968

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide (CID 110288710) is N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCCCc1ccc(C)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide?
The InChIKey is SSRVJLDVHCUBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-3-4-13-19(17,18)16-12-6-5-7-15-10-8-14(2)9-11-15/h8-11,16H,3-7,12-13H2,1-2H3.
What are the key properties of N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide?
N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)butyl]butane-1-sulfonamide is sourced from PubChem (CID 110288710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).