3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide

C13H10Cl3NO3S — CID 113098935

IUPAC3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C13H10Cl3NO3S/c1-20-12-6-5-8(7-11(12)16)21(18,19)17-13-9(14)3-2-4-10(13)15/h2-7,17H,1H3
InChIKeyKSHDKWYPAMFGEL-UHFFFAOYSA-N
MW366.65 g/mol
LogP4.46
Rot. Bonds4

About 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide

3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 113098935) has the molecular formula C13H10Cl3NO3S and a molecular weight of 366.65 g/mol. Its IUPAC name is 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
PubChem CID113098935
Molecular FormulaC13H10Cl3NO3S
Molecular Weight366.65 g/mol
Exact Mass364.94
IUPAC Name3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C13H10Cl3NO3S/c1-20-12-6-5-8(7-11(12)16)21(18,19)17-13-9(14)3-2-4-10(13)15/h2-7,17H,1H3
InChIKeyKSHDKWYPAMFGEL-UHFFFAOYSA-N
XLogP4.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.65
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,6-diethylphenyl)-4-methoxybenzenesulfonamide
CID 113098500
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 60532106
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
3-bromo-N-(2-chloro-6-methylphenyl)-4-methoxybenzenesulfonamide
CID 66256215
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
N-[4,5-dichloro-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]thiophene-2-sulfonamide
CID 67970163
3-chloro-N-(4-ethylsulfonylphenyl)-4-methoxybenzenesulfonamide
CID 39829723
4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide (CID 113098935) is 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is KSHDKWYPAMFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NO3S/c1-20-12-6-5-8(7-11(12)16)21(18,19)17-13-9(14)3-2-4-10(13)15/h2-7,17H,1H3.
What are the key properties of 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 366.65 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 113098935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).