3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide

C14H14ClNO4S — CID 961849

IUPAC3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1Cl
InChIInChI=1S/C14H14ClNO4S/c1-19-13-8-7-10(9-11(13)15)21(17,18)16-12-5-3-4-6-14(12)20-2/h3-9,16H,1-2H3
InChIKeyLIUQUGOVFZSDIX-UHFFFAOYSA-N
MW327.79 g/mol
LogP3.16
Rot. Bonds5

About 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide

3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 961849) has the molecular formula C14H14ClNO4S and a molecular weight of 327.79 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID961849
Molecular FormulaC14H14ClNO4S
Molecular Weight327.79 g/mol
Exact Mass327.03
IUPAC Name3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1Cl
InChIInChI=1S/C14H14ClNO4S/c1-19-13-8-7-10(9-11(13)15)21(17,18)16-12-5-3-4-6-14(12)20-2/h3-9,16H,1-2H3
InChIKeyLIUQUGOVFZSDIX-UHFFFAOYSA-N
XLogP3.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 60532106
N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093841
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-[5-[[2-(2-chlorophenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24514729
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
CID 113098500

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide (CID 961849) is 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is LIUQUGOVFZSDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO4S/c1-19-13-8-7-10(9-11(13)15)21(17,18)16-12-5-3-4-6-14(12)20-2/h3-9,16H,1-2H3.
What are the key properties of 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 961849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).