N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

C15H10BrCl2N3O3S2 — CID 59168194

IUPACN-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1OCc1ccsc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10BrCl2N3O3S2/c16-12-6-19-14(15(20-12)24-7-9-4-5-25-8-9)21-26(22,23)11-3-1-2-10(17)13(11)18/h1-6,8H,7H2,(H,19,21)
InChIKeyMGMARBNJOADPBI-UHFFFAOYSA-N
MW495.21 g/mol
LogP4.99
Rot. Bonds6

About N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (PubChem CID 59168194) has the molecular formula C15H10BrCl2N3O3S2 and a molecular weight of 495.21 g/mol. Its IUPAC name is N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
PubChem CID59168194
Molecular FormulaC15H10BrCl2N3O3S2
Molecular Weight495.21 g/mol
Exact Mass492.87
IUPAC NameN-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)nc1OCc1ccsc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10BrCl2N3O3S2/c16-12-6-19-14(15(20-12)24-7-9-4-5-25-8-9)21-26(22,23)11-3-1-2-10(17)13(11)18/h1-6,8H,7H2,(H,19,21)
InChIKeyMGMARBNJOADPBI-UHFFFAOYSA-N
XLogP4.99
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.21
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (CID 59168194) is N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is O=S(=O)(Nc1ncc(Br)nc1OCc1ccsc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The InChIKey is MGMARBNJOADPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2N3O3S2/c16-12-6-19-14(15(20-12)24-7-9-4-5-25-8-9)21-26(22,23)11-3-1-2-10(17)13(11)18/h1-6,8H,7H2,(H,19,21).
What are the key properties of N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide has a molecular weight of 495.21 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-3-(thiophen-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 59168194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).