N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide

C16H20ClNO2S2 — CID 22772327

IUPACN-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20ClNO2S2/c1-11(12-5-7-13(8-6-12)16(2,3)4)18-22(19,20)15-10-9-14(17)21-15/h5-11,18H,1-4H3
InChIKeyUQGOHEVXXYXOTD-UHFFFAOYSA-N
MW357.93 g/mol
LogP4.74
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide

N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 22772327) has the molecular formula C16H20ClNO2S2 and a molecular weight of 357.93 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide
PubChem CID22772327
Molecular FormulaC16H20ClNO2S2
Molecular Weight357.93 g/mol
Exact Mass357.06
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H20ClNO2S2/c1-11(12-5-7-13(8-6-12)16(2,3)4)18-22(19,20)15-10-9-14(17)21-15/h5-11,18H,1-4H3
InChIKeyUQGOHEVXXYXOTD-UHFFFAOYSA-N
XLogP4.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.93
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-5-chlorothiophene-2-sulfonamide
CID 3835268
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]thiophene-2-sulfonamide
CID 134017266
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
5-chloro-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-sulfonamide
CID 29355029
N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide
CID 133264494
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
N-[1-(4-fluorophenyl)ethyl]-5-methylthiophene-2-sulfonamide
CID 47109825
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-2-sulfonamide
CID 43297909
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
N-[1-(4-tert-butylphenyl)ethyl]-3-chloropropane-1-sulfonamide
CID 60958604
N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 22772322
5-chloro-N-(5,5,5-trifluoro-1-hydroxy-3-methylpentan-2-yl)thiophene-2-sulfonamide
CID 72786260

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide (CID 22772327) is N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide is CC(NS(=O)(=O)c1ccc(Cl)s1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is UQGOHEVXXYXOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S2/c1-11(12-5-7-13(8-6-12)16(2,3)4)18-22(19,20)15-10-9-14(17)21-15/h5-11,18H,1-4H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide?
N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 357.93 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 22772327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).