4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide

C21H29NO2S — CID 22204673

IUPAC4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
SMILESCCCc1ccc(C(C)NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H29NO2S/c1-5-6-18-7-11-20(12-8-18)17(4)22-25(23,24)21-13-9-19(10-14-21)15-16(2)3/h7-14,16-17,22H,5-6,15H2,1-4H3
InChIKeyDCIXIHHITQSUMD-UHFFFAOYSA-N
MW359.54 g/mol
LogP4.88
Rot. Bonds8

About 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide

4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide (PubChem CID 22204673) has the molecular formula C21H29NO2S and a molecular weight of 359.54 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
PubChem CID22204673
Molecular FormulaC21H29NO2S
Molecular Weight359.54 g/mol
Exact Mass359.19
IUPAC Name4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
SMILESCCCc1ccc(C(C)NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H29NO2S/c1-5-6-18-7-11-20(12-8-18)17(4)22-25(23,24)21-13-9-19(10-14-21)15-16(2)3/h7-14,16-17,22H,5-6,15H2,1-4H3
InChIKeyDCIXIHHITQSUMD-UHFFFAOYSA-N
XLogP4.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245
4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772313
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
N-(1-hydroxy-4-methylpentan-2-yl)-4-propylbenzenesulfonamide
CID 61246381
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide (CID 22204673) is 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide is CCCc1ccc(C(C)NS(=O)(=O)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
The InChIKey is DCIXIHHITQSUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2S/c1-5-6-18-7-11-20(12-8-18)17(4)22-25(23,24)21-13-9-19(10-14-21)15-16(2)3/h7-14,16-17,22H,5-6,15H2,1-4H3.
What are the key properties of 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide?
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide has a molecular weight of 359.54 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22204673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).