3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide

C14H16BrNO2S2 — CID 61068609

IUPAC3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2sccc2Br)c(C)c1
InChIInChI=1S/C14H16BrNO2S2/c1-9-4-5-12(10(2)8-9)11(3)16-20(17,18)14-13(15)6-7-19-14/h4-8,11,16H,1-3H3
InChIKeyMJNYBTLAENTVJX-UHFFFAOYSA-N
MW374.33 g/mol
LogP4.17
Rot. Bonds4

About 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide

3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide (PubChem CID 61068609) has the molecular formula C14H16BrNO2S2 and a molecular weight of 374.33 g/mol. Its IUPAC name is 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide
PubChem CID61068609
Molecular FormulaC14H16BrNO2S2
Molecular Weight374.33 g/mol
Exact Mass372.98
IUPAC Name3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2sccc2Br)c(C)c1
InChIInChI=1S/C14H16BrNO2S2/c1-9-4-5-12(10(2)8-9)11(3)16-20(17,18)14-13(15)6-7-19-14/h4-8,11,16H,1-3H3
InChIKeyMJNYBTLAENTVJX-UHFFFAOYSA-N
XLogP4.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-(2-methylphenyl)ethyl]thiophene-2-sulfonamide
CID 61072943
3-bromo-N-[1-(4-cyanophenyl)ethyl]thiophene-2-sulfonamide
CID 61073929
3-bromo-N-(1-cyclopropylethyl)thiophene-2-sulfonamide
CID 61073735
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694924
3-bromo-N-[1-(2-methylphenyl)propan-2-yl]thiophene-2-sulfonamide
CID 61068595
3-bromo-N-(1-chloro-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 79268179
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22201049
N-[1-(2,4-dimethylphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54867726
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
N-[1-(2,4-dimethylphenyl)ethyl]butane-1-sulfonamide
CID 22201065
3-bromo-N-(2-methyl-5-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063182
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide (CID 61068609) is 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2sccc2Br)c(C)c1.
What is the InChIKey of 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide?
The InChIKey is MJNYBTLAENTVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S2/c1-9-4-5-12(10(2)8-9)11(3)16-20(17,18)14-13(15)6-7-19-14/h4-8,11,16H,1-3H3.
What are the key properties of 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide?
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide has a molecular weight of 374.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61068609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).