N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide

C17H20ClNO5S — CID 9172723

IUPACN-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1OCC
InChIInChI=1S/C17H20ClNO5S/c1-4-23-16-9-7-13(11-17(16)24-5-2)25(20,21)19-14-10-12(18)6-8-15(14)22-3/h6-11,19H,4-5H2,1-3H3
InChIKeyPCOUFFCWVGDYBJ-UHFFFAOYSA-N
MW385.87 g/mol
LogP3.95
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide

N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide (PubChem CID 9172723) has the molecular formula C17H20ClNO5S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
PubChem CID9172723
Molecular FormulaC17H20ClNO5S
Molecular Weight385.87 g/mol
Exact Mass385.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1OCC
InChIInChI=1S/C17H20ClNO5S/c1-4-23-16-9-7-13(11-17(16)24-5-2)25(20,21)19-14-10-12(18)6-8-15(14)22-3/h6-11,19H,4-5H2,1-3H3
InChIKeyPCOUFFCWVGDYBJ-UHFFFAOYSA-N
XLogP3.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 6456783
N-[5-chloro-2-(dimethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030613
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702
3-bromo-N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 63422726
N-(5-chloro-2-methoxyphenyl)-4-(2-methoxyethoxy)-3-methylbenzenesulfonamide
CID 46417535
N-(5-chloro-2-methoxyphenyl)-6-methoxynaphthalene-2-sulfonamide
CID 100666504
N-(4-chloro-2-methoxyphenyl)-4-ethoxybenzenesulfonamide
CID 155537500
methyl 2-[4-[(5-chloro-2-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 2213582
N-(5-chloro-2-methoxyphenyl)-3H-benzimidazole-5-sulfonamide
CID 110760032
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide (CID 9172723) is N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)cc1OCC.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide?
The InChIKey is PCOUFFCWVGDYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO5S/c1-4-23-16-9-7-13(11-17(16)24-5-2)25(20,21)19-14-10-12(18)6-8-15(14)22-3/h6-11,19H,4-5H2,1-3H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide?
N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide has a molecular weight of 385.87 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3,4-diethoxybenzenesulfonamide is sourced from PubChem (CID 9172723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).