3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C12H10Cl2N2O2S — CID 110727340

IUPAC3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-4-9(7-15-6-8)16-19(17,18)10-2-3-11(13)12(14)5-10/h2-7,16H,1H3
InChIKeyLZWQYQKYQUFTDA-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.50
Rot. Bonds3

About 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide

3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 110727340) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID110727340
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C12H10Cl2N2O2S/c1-8-4-9(7-15-6-8)16-19(17,18)10-2-3-11(13)12(14)5-10/h2-7,16H,1H3
InChIKeyLZWQYQKYQUFTDA-UHFFFAOYSA-N
XLogP3.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
2-chloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727391
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110727348
4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088073
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 107585860
3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
4-chloro-N-(3,5-dimethylphenyl)-3-methoxybenzenesulfonamide
CID 15944074

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 110727340) is 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is LZWQYQKYQUFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-8-4-9(7-15-6-8)16-19(17,18)10-2-3-11(13)12(14)5-10/h2-7,16H,1H3.
What are the key properties of 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 317.20 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 110727340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).