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

C17H20Cl2N2O4S — CID 57437853

IUPAC5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(OCCN(C)C)c1
InChIInChI=1S/C17H20Cl2N2O4S/c1-21(2)8-9-25-16-11-13(5-6-14(16)19)20-26(22,23)17-10-12(18)4-7-15(17)24-3/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyRTAVHTFKAHOBAO-UHFFFAOYSA-N
MW419.33 g/mol
LogP3.74
Rot. Bonds8

About 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide

5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide (PubChem CID 57437853) has the molecular formula C17H20Cl2N2O4S and a molecular weight of 419.33 g/mol. Its IUPAC name is 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
PubChem CID57437853
Molecular FormulaC17H20Cl2N2O4S
Molecular Weight419.33 g/mol
Exact Mass418.05
IUPAC Name5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(OCCN(C)C)c1
InChIInChI=1S/C17H20Cl2N2O4S/c1-21(2)8-9-25-16-11-13(5-6-14(16)19)20-26(22,23)17-10-12(18)4-7-15(17)24-3/h4-7,10-11,20H,8-9H2,1-3H3
InChIKeyRTAVHTFKAHOBAO-UHFFFAOYSA-N
XLogP3.74
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4,5-dimethoxy-2-phenylbenzenesulfonamide
CID 10117297
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
2,3,6-trichloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]benzenesulfonamide
CID 70033242
3-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-4-methylbenzenesulfonamide
CID 10222792
4-bromo-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 59068691
5-chloro-2-methoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 3476038
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
4-(3-chloro-2-cyanophenoxy)-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-5-methoxy-2-methylbenzenesulfonamide
CID 10187515
N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-6-oxo-2-propylsulfanyl-1H-pyrimidine-5-sulfonamide
CID 86593855
2,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 2988024
5-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(2-methoxyethoxy)benzenesulfonamide
CID 154755060
5-chloro-2-methoxy-N-[3-(methoxymethyl)phenyl]benzenesulfonamide
CID 100562486

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide (CID 57437853) is 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(OCCN(C)C)c1.
What is the InChIKey of 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide?
The InChIKey is RTAVHTFKAHOBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4S/c1-21(2)8-9-25-16-11-13(5-6-14(16)19)20-26(22,23)17-10-12(18)4-7-15(17)24-3/h4-7,10-11,20H,8-9H2,1-3H3.
What are the key properties of 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide has a molecular weight of 419.33 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-chloro-3-[2-(dimethylamino)ethoxy]phenyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 57437853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).