5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide

C12H12BrNO3S2 — CID 989272

IUPAC5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H12BrNO3S2/c1-17-10-4-2-9(3-5-10)8-14-19(15,16)12-7-6-11(13)18-12/h2-7,14H,8H2,1H3
InChIKeyFFLIYDCDOCISRC-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.00
Rot. Bonds5

About 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide

5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 989272) has the molecular formula C12H12BrNO3S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
PubChem CID989272
Molecular FormulaC12H12BrNO3S2
Molecular Weight362.27 g/mol
Exact Mass360.94
IUPAC Name5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1
InChIInChI=1S/C12H12BrNO3S2/c1-17-10-4-2-9(3-5-10)8-14-19(15,16)12-7-6-11(13)18-12/h2-7,14H,8H2,1H3
InChIKeyFFLIYDCDOCISRC-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide (CID 989272) is 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(Br)s2)cc1.
What is the InChIKey of 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is FFLIYDCDOCISRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO3S2/c1-17-10-4-2-9(3-5-10)8-14-19(15,16)12-7-6-11(13)18-12/h2-7,14H,8H2,1H3.
What are the key properties of 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide?
5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 362.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methoxyphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 989272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).