4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide

C12H11BrN2O2S — CID 131887487

IUPAC4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide
SMILESCn1ccccc1=NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O2S/c1-15-9-3-2-4-12(15)14-18(16,17)11-7-5-10(13)6-8-11/h2-9H,1H3
InChIKeyOCOLNWMUCBXEKE-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.08
Rot. Bonds2

About 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide

4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide (PubChem CID 131887487) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide
PubChem CID131887487
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide
SMILESCn1ccccc1=NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O2S/c1-15-9-3-2-4-12(15)14-18(16,17)11-7-5-10(13)6-8-11/h2-9H,1H3
InChIKeyOCOLNWMUCBXEKE-UHFFFAOYSA-N
XLogP2.08
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(5,5-dimethyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 4009019
(4-bromophenyl)-methyl-methylimino-oxo-λ6-sulfane
CID 90045392
4-bromo-N-(phenyl-λ3-iodanylidene)benzenesulfonamide
CID 15325025
2-[4-bromo-2-(4-methylphenyl)sulfonylimino-1-pyridinyl]acetamide
CID 70995575
(NZ)-N-(3-amino-4-oxonaphthalen-1-ylidene)-4-bromobenzenesulfonamide
CID 5497654
4-bromo-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide
CID 5175041
CID 12648432
CID 12648432
(NZ)-N-[(3R,4S)-3-(4-bromophenyl)-1,4-diphenylazetidin-2-ylidene]-4-methylbenzenesulfonamide
CID 11663736
4-bromo-N-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide
CID 43078091
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849297
4-bromobenzenesulfonic acid;indigane
CID 173230394
N'-(4-bromophenyl)sulfonyl-N-(2-iodophenyl)benzenecarboximidamide
CID 46368553

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide (CID 131887487) is 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide is Cn1ccccc1=NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide?
The InChIKey is OCOLNWMUCBXEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-15-9-3-2-4-12(15)14-18(16,17)11-7-5-10(13)6-8-11/h2-9H,1H3.
What are the key properties of 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide?
4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide has a molecular weight of 327.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-methyl-2-pyridinylidene)benzenesulfonamide is sourced from PubChem (CID 131887487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).