4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide

C22H31NO2S — CID 22772316

IUPAC4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H31NO2S/c1-7-16(2)18-10-14-21(15-11-18)26(24,25)23-17(3)19-8-12-20(13-9-19)22(4,5)6/h8-17,23H,7H2,1-6H3
InChIKeySXEVMUCZLSDDHZ-UHFFFAOYSA-N
MW373.56 g/mol
LogP5.54
Rot. Bonds6

About 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide

4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide (PubChem CID 22772316) has the molecular formula C22H31NO2S and a molecular weight of 373.56 g/mol. Its IUPAC name is 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
PubChem CID22772316
Molecular FormulaC22H31NO2S
Molecular Weight373.56 g/mol
Exact Mass373.21
IUPAC Name4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
SMILESCCC(C)c1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H31NO2S/c1-7-16(2)18-10-14-21(15-11-18)26(24,25)23-17(3)19-8-12-20(13-9-19)22(4,5)6/h8-17,23H,7H2,1-6H3
InChIKeySXEVMUCZLSDDHZ-UHFFFAOYSA-N
XLogP5.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.56
LogP ≤ 55.54
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-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772313
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22204718
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-[(2R)-1-aminopropan-2-yl]-4-butan-2-ylbenzenesulfonamide
CID 104873238
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide (CID 22772316) is 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide is CCC(C)c1ccc(S(=O)(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide?
The InChIKey is SXEVMUCZLSDDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2S/c1-7-16(2)18-10-14-21(15-11-18)26(24,25)23-17(3)19-8-12-20(13-9-19)22(4,5)6/h8-17,23H,7H2,1-6H3.
What are the key properties of 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide?
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide has a molecular weight of 373.56 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 22772316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).