5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide

C14H16BrNO2S2 — CID 3559353

IUPAC5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H16BrNO2S2/c1-14(2,3)10-4-6-11(7-5-10)16-20(17,18)13-9-8-12(15)19-13/h4-9,16H,1-3H3
InChIKeyIZDVFBLACYGYRA-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.61
Rot. Bonds3

About 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide

5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide (PubChem CID 3559353) has the molecular formula C14H16BrNO2S2 and a molecular weight of 374.33 g/mol. Its IUPAC name is 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
PubChem CID3559353
Molecular FormulaC14H16BrNO2S2
Molecular Weight374.33 g/mol
Exact Mass372.98
IUPAC Name5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C14H16BrNO2S2/c1-14(2,3)10-4-6-11(7-5-10)16-20(17,18)13-9-8-12(15)19-13/h4-9,16H,1-3H3
InChIKeyIZDVFBLACYGYRA-UHFFFAOYSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010
5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-methoxy-N-methylbenzamide
CID 24542625

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide (CID 3559353) is 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide is CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide?
The InChIKey is IZDVFBLACYGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S2/c1-14(2,3)10-4-6-11(7-5-10)16-20(17,18)13-9-8-12(15)19-13/h4-9,16H,1-3H3.
What are the key properties of 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide?
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide has a molecular weight of 374.33 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 3559353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).