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

C15H18BrNO2S2 — CID 79998829

IUPAC5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(C)(C)C)sc1Br
InChIInChI=1S/C15H18BrNO2S2/c1-10-9-13(20-14(10)16)21(18,19)17-12-8-6-5-7-11(12)15(2,3)4/h5-9,17H,1-4H3
InChIKeyOVPMMXRMMIUVRF-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.92
Rot. Bonds3

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

5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide (PubChem CID 79998829) has the molecular formula C15H18BrNO2S2 and a molecular weight of 388.35 g/mol. Its IUPAC name is 5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide
PubChem CID79998829
Molecular FormulaC15H18BrNO2S2
Molecular Weight388.35 g/mol
Exact Mass387.00
IUPAC Name5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2C(C)(C)C)sc1Br
InChIInChI=1S/C15H18BrNO2S2/c1-10-9-13(20-14(10)16)21(18,19)17-12-8-6-5-7-11(12)15(2,3)4/h5-9,17H,1-4H3
InChIKeyOVPMMXRMMIUVRF-UHFFFAOYSA-N
XLogP4.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-[2-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 79998351
5-bromo-N-(2-iodophenyl)-4-methylthiophene-2-sulfonamide
CID 79987659
5-bromo-N-(2-bromo-3-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 113267852
5-bromo-N-(3-fluoro-2-methylphenyl)-4-methylthiophene-2-sulfonamide
CID 79933429
methyl 2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]benzoate
CID 79912735
5-bromo-N-(3-chloro-2-hydroxyphenyl)-4-methylthiophene-2-sulfonamide
CID 79933842
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylthiophene-2-sulfonamide
CID 106831901
N-(2-tert-butylphenyl)thiophene-2-sulfonamide
CID 3861926
N-(4-amino-2-bromophenyl)-5-bromo-4-methylthiophene-2-sulfonamide
CID 79988514
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
4-bromo-N-(2-tert-butylphenyl)-2-chlorobenzenesulfonamide
CID 7939182
5-bromo-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)thiophene-2-sulfonamide
CID 114491078

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide (CID 79998829) is 5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2C(C)(C)C)sc1Br.
What is the InChIKey of 5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide?
The InChIKey is OVPMMXRMMIUVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S2/c1-10-9-13(20-14(10)16)21(18,19)17-12-8-6-5-7-11(12)15(2,3)4/h5-9,17H,1-4H3.
What are the key properties of 5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide?
5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide has a molecular weight of 388.35 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-tert-butylphenyl)-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79998829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).