3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide

C15H16Cl2N2O3S — CID 60532106

IUPAC3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1Cl
InChIInChI=1S/C15H16Cl2N2O3S/c1-19(2)15-11(16)5-4-6-13(15)18-23(20,21)10-7-8-14(22-3)12(17)9-10/h4-9,18H,1-3H3
InChIKeyPBJNECJJGWGSRW-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.87
Rot. Bonds5

About 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide

3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide (PubChem CID 60532106) has the molecular formula C15H16Cl2N2O3S and a molecular weight of 375.28 g/mol. Its IUPAC name is 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
PubChem CID60532106
Molecular FormulaC15H16Cl2N2O3S
Molecular Weight375.28 g/mol
Exact Mass374.03
IUPAC Name3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1Cl
InChIInChI=1S/C15H16Cl2N2O3S/c1-19(2)15-11(16)5-4-6-13(15)18-23(20,21)10-7-8-14(22-3)12(17)9-10/h4-9,18H,1-3H3
InChIKeyPBJNECJJGWGSRW-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
N-[2-[(3-chloro-4-methoxyphenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 113093841
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
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
4-[[3-chloro-2-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 60532248
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
3-chloro-1-N-[(3-chloro-4-methoxyphenyl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 65021658
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide (CID 60532106) is 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1Cl.
What is the InChIKey of 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide?
The InChIKey is PBJNECJJGWGSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3S/c1-19(2)15-11(16)5-4-6-13(15)18-23(20,21)10-7-8-14(22-3)12(17)9-10/h4-9,18H,1-3H3.
What are the key properties of 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide has a molecular weight of 375.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-chloro-2-(dimethylamino)phenyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 60532106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).