(4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide

C13H11BrNO3S- — CID 5140565

IUPAC(4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide
SMILESCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrNO3S/c1-18-12-6-4-11(5-7-12)15-19(16,17)13-8-2-10(14)3-9-13/h2-9H,1H3/q-1
InChIKeyNYFHVHRJCODCIJ-UHFFFAOYSA-N
MW341.21 g/mol
LogP3.85
Rot. Bonds4

About (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide

(4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide (PubChem CID 5140565) has the molecular formula C13H11BrNO3S- and a molecular weight of 341.21 g/mol. Its IUPAC name is (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide.

Molecular Properties

Compound Name(4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide
PubChem CID5140565
Molecular FormulaC13H11BrNO3S-
Molecular Weight341.21 g/mol
Exact Mass339.96
IUPAC Name(4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide
SMILESCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrNO3S/c1-18-12-6-4-11(5-7-12)15-19(16,17)13-8-2-10(14)3-9-13/h2-9H,1H3/q-1
InChIKeyNYFHVHRJCODCIJ-UHFFFAOYSA-N
XLogP3.85
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
(4-methoxyphenyl)sulfonyl-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]azanide
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1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281
4-bromo-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
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(4-bromophenyl)-(5-bromothiophen-2-yl)sulfonylazanide
CID 4748165
4-bromo-N-[(4-methoxyphenyl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 99973102
4-methoxybenzenesulfonyl iodide
CID 23080708
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
lithium;1-bromo-4-methoxybenzene;butane
CID 174553032
2-(N-(4-bromophenyl)sulfonyl-4-methoxyanilino)propanoic acid
CID 50891444
4-bromo-N-[(2S,3S)-1-hydroxy-1-(4-methoxyphenyl)-3-methylpentan-2-yl]benzenesulfonamide
CID 68543467
hydroxy-(4-methoxyphenyl)-oxo-sulfanylidene-lambda6-sulfane
CID 6912594

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide?
The IUPAC name of (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide (CID 5140565) is (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide.
What is the SMILES notation for (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide?
The canonical SMILES for (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide is COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide?
The InChIKey is NYFHVHRJCODCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrNO3S/c1-18-12-6-4-11(5-7-12)15-19(16,17)13-8-2-10(14)3-9-13/h2-9H,1H3/q-1.
What are the key properties of (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide?
(4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide has a molecular weight of 341.21 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)sulfonyl-(4-methoxyphenyl)azanide is sourced from PubChem (CID 5140565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).