4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide

C22H31NO2S — CID 22772313

IUPAC4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H31NO2S/c1-6-7-8-18-9-15-21(16-10-18)26(24,25)23-17(2)19-11-13-20(14-12-19)22(3,4)5/h9-17,23H,6-8H2,1-5H3
InChIKeyJZSNMUXBXNMMAN-UHFFFAOYSA-N
MW373.56 g/mol
LogP5.37
Rot. Bonds7

About 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide

4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide (PubChem CID 22772313) has the molecular formula C22H31NO2S and a molecular weight of 373.56 g/mol. Its IUPAC name is 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
PubChem CID22772313
Molecular FormulaC22H31NO2S
Molecular Weight373.56 g/mol
Exact Mass373.21
IUPAC Name4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H31NO2S/c1-6-7-8-18-9-15-21(16-10-18)26(24,25)23-17(2)19-11-13-20(14-12-19)22(3,4)5/h9-17,23H,6-8H2,1-5H3
InChIKeyJZSNMUXBXNMMAN-UHFFFAOYSA-N
XLogP5.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.56
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
4-(2-methylpropyl)-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204673
4-fluoro-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204665
N-[(1S)-1-phenylethyl]-4-propylbenzenesulfonamide
CID 2559624
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-butyl-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 22209009
1-N,4-N-bis(4-butylphenyl)-4-N-(4-tert-butylphenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 70822243
N-[(1S)-1-(4-propylphenyl)ethyl]butane-1-sulfonamide
CID 26001989
4-butylbenzenesulfonohydrazide
CID 17255521

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide (CID 22772313) is 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide?
The InChIKey is JZSNMUXBXNMMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2S/c1-6-7-8-18-9-15-21(16-10-18)26(24,25)23-17(2)19-11-13-20(14-12-19)22(3,4)5/h9-17,23H,6-8H2,1-5H3.
What are the key properties of 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide?
4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide has a molecular weight of 373.56 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22772313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).