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

C18H22ClNO2S — CID 40744824

IUPAC4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO2S/c1-13(14-5-9-16(19)10-6-14)20-23(21,22)17-11-7-15(8-12-17)18(2,3)4/h5-13,20H,1-4H3/t13-/m0/s1
InChIKeyIGXFQHBTJJCUOM-ZDUSSCGKSA-N
MW351.90 g/mol
LogP4.68
Rot. Bonds4

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

4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide (PubChem CID 40744824) has the molecular formula C18H22ClNO2S and a molecular weight of 351.90 g/mol. Its IUPAC name is 4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
PubChem CID40744824
Molecular FormulaC18H22ClNO2S
Molecular Weight351.90 g/mol
Exact Mass351.11
IUPAC Name4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO2S/c1-13(14-5-9-16(19)10-6-14)20-23(21,22)17-11-7-15(8-12-17)18(2,3)4/h5-13,20H,1-4H3/t13-/m0/s1
InChIKeyIGXFQHBTJJCUOM-ZDUSSCGKSA-N
XLogP4.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.90
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
N-[1-(4-chlorophenyl)ethyl]-4-phenylbenzenesulfonamide
CID 3814235
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 107858568
4-butyl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772313
N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 22772322
N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 22772327
N-[1-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-4-chlorobenzenesulfonamide
CID 3626557
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 60639502

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide (CID 40744824) is 4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide?
The InChIKey is IGXFQHBTJJCUOM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22ClNO2S/c1-13(14-5-9-16(19)10-6-14)20-23(21,22)17-11-7-15(8-12-17)18(2,3)4/h5-13,20H,1-4H3/t13-/m0/s1.
What are the key properties of 4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide?
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide has a molecular weight of 351.90 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 40744824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).