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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Related Compounds

N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10239030
2,3-dichloro-N-[5-chloro-3-[(6-methoxy-3-pyridinyl)methoxy]pyrazin-2-yl]benzenesulfonamide
CID 10288760
N-[5-bromo-3-[(Z)-4-methoxy-2-methylbut-3-enoxy]pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide;ethane
CID 142264030
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 10791888
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
CID 88884945
CID 88884945
N-[3-(1H-benzimidazol-2-ylmethoxy)-5-chloropyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 11504010
N-(5-bromo-3-methoxypyrazin-2-yl)-2-cyanobenzenesulfonamide;2,3-dichloro-N-[3-[[5-(methylaminomethyl)furan-2-yl]methoxy]pyrazin-2-yl]benzenesulfonamide
CID 172750895
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-4-chloro-3-nitrobenzenesulfonamide
CID 23075716
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide
CID 23076211
N-[5-bromo-3-[(4-ethylphenyl)methoxy]pyrazin-2-yl]-4-methylbenzenesulfonamide
CID 23075822
3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide
CID 23122658

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).