N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide

C14H17NO3S2 — CID 43398038

IUPACN-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(O)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H17NO3S2/c1-14(2,3)10-6-7-12(16)11(9-10)15-20(17,18)13-5-4-8-19-13/h4-9,15-16H,1-3H3
InChIKeyVYXLIOOHGRFHOU-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.55
Rot. Bonds3

About N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide

N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide (PubChem CID 43398038) has the molecular formula C14H17NO3S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide
PubChem CID43398038
Molecular FormulaC14H17NO3S2
Molecular Weight311.43 g/mol
Exact Mass311.06
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(O)c(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C14H17NO3S2/c1-14(2,3)10-6-7-12(16)11(9-10)15-20(17,18)13-5-4-8-19-13/h4-9,15-16H,1-3H3
InChIKeyVYXLIOOHGRFHOU-UHFFFAOYSA-N
XLogP3.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-[2-chloro-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 971753
N-[4,5-dichloro-2-[(2-hydroxy-5-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 118101197
N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 22110261
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-(3-bromo-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81497250
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210
N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 115911312
N-[6-(tert-butylamino)pyridazin-3-yl]thiophene-2-sulfonamide
CID 113044334
N-(2-bromo-4-methylphenyl)thiophene-2-sulfonamide
CID 7939241
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide (CID 43398038) is N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide is CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide?
The InChIKey is VYXLIOOHGRFHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S2/c1-14(2,3)10-6-7-12(16)11(9-10)15-20(17,18)13-5-4-8-19-13/h4-9,15-16H,1-3H3.
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide?
N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 43398038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).