4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide

C12H10BrClN2O2S — CID 103943858

IUPAC4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncccc2Cl)ccc1Br
InChIInChI=1S/C12H10BrClN2O2S/c1-8-7-9(4-5-10(8)13)19(17,18)16-12-11(14)3-2-6-15-12/h2-7H,1H3,(H,15,16)
InChIKeyAZURFSBOYSDNDT-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.61
Rot. Bonds3

About 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide

4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide (PubChem CID 103943858) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
PubChem CID103943858
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Name4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ncccc2Cl)ccc1Br
InChIInChI=1S/C12H10BrClN2O2S/c1-8-7-9(4-5-10(8)13)19(17,18)16-12-11(14)3-2-6-15-12/h2-7H,1H3,(H,15,16)
InChIKeyAZURFSBOYSDNDT-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327
4-bromo-N-(2-methoxy-3-pyridinyl)-3-methylbenzenesulfonamide
CID 47038316
3-amino-N-(3-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 103093961
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 103943863
4-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzenesulfonamide
CID 83078624
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
CID 103580611
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122
N-(3-chloro-2-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 103094687
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide (CID 103943858) is 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ncccc2Cl)ccc1Br.
What is the InChIKey of 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide?
The InChIKey is AZURFSBOYSDNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c1-8-7-9(4-5-10(8)13)19(17,18)16-12-11(14)3-2-6-15-12/h2-7H,1H3,(H,15,16).
What are the key properties of 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide?
4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide has a molecular weight of 361.65 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 103943858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).