N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide

C11H9BrClN3O3S — CID 115733519

IUPACN-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C11H9BrClN3O3S/c1-19-8-4-7(13)2-3-9(8)20(17,18)16-11-6-14-10(12)5-15-11/h2-6H,1H3,(H,15,16)
InChIKeyWORNWYDBFLDPRU-UHFFFAOYSA-N
MW378.64 g/mol
LogP2.70
Rot. Bonds4

About N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide

N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide (PubChem CID 115733519) has the molecular formula C11H9BrClN3O3S and a molecular weight of 378.64 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide
PubChem CID115733519
Molecular FormulaC11H9BrClN3O3S
Molecular Weight378.64 g/mol
Exact Mass376.92
IUPAC NameN-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C11H9BrClN3O3S/c1-19-8-4-7(13)2-3-9(8)20(17,18)16-11-6-14-10(12)5-15-11/h2-6H,1H3,(H,15,16)
InChIKeyWORNWYDBFLDPRU-UHFFFAOYSA-N
XLogP2.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(5-bromopyrazin-2-yl)-2-methoxy-4-methylbenzenesulfonamide
CID 79959394
5-amino-4-bromo-N-(5-bromopyrazin-2-yl)-2-methoxybenzenesulfonamide
CID 81397943
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
N-(5-bromopyrazin-2-yl)-6-chloro-1H-indole-3-sulfonamide
CID 150603744
4-chloro-2-methoxy-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540598
N-(5-bromo-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 19683207
N-(4-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821777
4-amino-N-(5-bromo-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 43258667
N-(6-bromo-3-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 110605160
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methoxybenzenesulfonamide
CID 43547505
2-amino-N-(5-bromo-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 43114317

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide (CID 115733519) is N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)Nc1cnc(Br)cn1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide?
The InChIKey is WORNWYDBFLDPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O3S/c1-19-8-4-7(13)2-3-9(8)20(17,18)16-11-6-14-10(12)5-15-11/h2-6H,1H3,(H,15,16).
What are the key properties of N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide?
N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide has a molecular weight of 378.64 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-4-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 115733519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).