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

C11H5BrCl2N2O2S4 — CID 10299227

IUPAC4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2sccc2Cl)cs1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H5BrCl2N2O2S4/c12-5-3-8(21-10(5)14)22(17,18)16-11-15-7(4-20-11)9-6(13)1-2-19-9/h1-4H,(H,15,16)
InChIKeyARGPPKRCIPMUKS-UHFFFAOYSA-N
MW476.25 g/mol
LogP5.80
Rot. Bonds4

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

4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (PubChem CID 10299227) has the molecular formula C11H5BrCl2N2O2S4 and a molecular weight of 476.25 g/mol. Its IUPAC name is 4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
PubChem CID10299227
Molecular FormulaC11H5BrCl2N2O2S4
Molecular Weight476.25 g/mol
Exact Mass473.78
IUPAC Name4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2sccc2Cl)cs1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H5BrCl2N2O2S4/c12-5-3-8(21-10(5)14)22(17,18)16-11-15-7(4-20-11)9-6(13)1-2-19-9/h1-4H,(H,15,16)
InChIKeyARGPPKRCIPMUKS-UHFFFAOYSA-N
XLogP5.80
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.25
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide (CID 10299227) is 4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc(-c2sccc2Cl)cs1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
The InChIKey is ARGPPKRCIPMUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrCl2N2O2S4/c12-5-3-8(21-10(5)14)22(17,18)16-11-15-7(4-20-11)9-6(13)1-2-19-9/h1-4H,(H,15,16).
What are the key properties of 4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide?
4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide has a molecular weight of 476.25 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-N-[4-(3-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 10299227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).