3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

C13H7BrCl2N2O2S3 — CID 10205410

IUPAC3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1sc(Cl)cc1Br
InChIInChI=1S/C13H7BrCl2N2O2S3/c14-8-5-11(16)22-12(8)23(19,20)18-13-17-10(6-21-13)7-3-1-2-4-9(7)15/h1-6H,(H,17,18)
InChIKeyYQBHFLUUYULGOK-UHFFFAOYSA-N
MW470.22 g/mol
LogP5.74
Rot. Bonds4

About 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide

3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 10205410) has the molecular formula C13H7BrCl2N2O2S3 and a molecular weight of 470.22 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
PubChem CID10205410
Molecular FormulaC13H7BrCl2N2O2S3
Molecular Weight470.22 g/mol
Exact Mass467.82
IUPAC Name3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1sc(Cl)cc1Br
InChIInChI=1S/C13H7BrCl2N2O2S3/c14-8-5-11(16)22-12(8)23(19,20)18-13-17-10(6-21-13)7-3-1-2-4-9(7)15/h1-6H,(H,17,18)
InChIKeyYQBHFLUUYULGOK-UHFFFAOYSA-N
XLogP5.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.22
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 10205410) is 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1sc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is YQBHFLUUYULGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O2S3/c14-8-5-11(16)22-12(8)23(19,20)18-13-17-10(6-21-13)7-3-1-2-4-9(7)15/h1-6H,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 470.22 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 10205410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).