4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide

C16H16BrCl2NO4S2 — CID 3850046

IUPAC4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)cc1OC1CCCC1
InChIInChI=1S/C16H16BrCl2NO4S2/c1-23-11-7-6-9(8-12(11)24-10-4-2-3-5-10)20-26(21,22)14-13(17)15(18)25-16(14)19/h6-8,10,20H,2-5H2,1H3
InChIKeyMYOBAXPTRAILJY-UHFFFAOYSA-N
MW501.25 g/mol
LogP5.95
Rot. Bonds6

About 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide

4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide (PubChem CID 3850046) has the molecular formula C16H16BrCl2NO4S2 and a molecular weight of 501.25 g/mol. Its IUPAC name is 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide
PubChem CID3850046
Molecular FormulaC16H16BrCl2NO4S2
Molecular Weight501.25 g/mol
Exact Mass498.91
IUPAC Name4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)cc1OC1CCCC1
InChIInChI=1S/C16H16BrCl2NO4S2/c1-23-11-7-6-9(8-12(11)24-10-4-2-3-5-10)20-26(21,22)14-13(17)15(18)25-16(14)19/h6-8,10,20H,2-5H2,1H3
InChIKeyMYOBAXPTRAILJY-UHFFFAOYSA-N
XLogP5.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.25
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide?
The IUPAC name of 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide (CID 3850046) is 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide is COc1ccc(NS(=O)(=O)c2c(Cl)sc(Cl)c2Br)cc1OC1CCCC1.
What is the InChIKey of 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide?
The InChIKey is MYOBAXPTRAILJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrCl2NO4S2/c1-23-11-7-6-9(8-12(11)24-10-4-2-3-5-10)20-26(21,22)14-13(17)15(18)25-16(14)19/h6-8,10,20H,2-5H2,1H3.
What are the key properties of 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide?
4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide has a molecular weight of 501.25 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 3850046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).