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

C10H4BrCl2N3O2S4 — CID 22028023

IUPAC4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2sccc2Cl)ns1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H4BrCl2N3O2S4/c11-4-3-6(20-8(4)13)22(17,18)16-10-14-9(15-21-10)7-5(12)1-2-19-7/h1-3H,(H,14,15,16)
InChIKeyNQTWTWGUNIINCC-UHFFFAOYSA-N
MW477.24 g/mol
LogP5.20
Rot. Bonds4

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

4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide (PubChem CID 22028023) has the molecular formula C10H4BrCl2N3O2S4 and a molecular weight of 477.24 g/mol. Its IUPAC name is 4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide
PubChem CID22028023
Molecular FormulaC10H4BrCl2N3O2S4
Molecular Weight477.24 g/mol
Exact Mass474.77
IUPAC Name4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc(-c2sccc2Cl)ns1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C10H4BrCl2N3O2S4/c11-4-3-6(20-8(4)13)22(17,18)16-10-14-9(15-21-10)7-5(12)1-2-19-7/h1-3H,(H,14,15,16)
InChIKeyNQTWTWGUNIINCC-UHFFFAOYSA-N
XLogP5.20
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.24
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of 4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide (CID 22028023) is 4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for 4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc(-c2sccc2Cl)ns1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is NQTWTWGUNIINCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrCl2N3O2S4/c11-4-3-6(20-8(4)13)22(17,18)16-10-14-9(15-21-10)7-5(12)1-2-19-7/h1-3H,(H,14,15,16).
What are the key properties of 4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide?
4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 477.24 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-N-[3-(3-chlorothiophen-2-yl)-1,2,4-thiadiazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22028023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).