3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide

C16H17Cl2NO4S — CID 8851611

IUPAC3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OCC
InChIInChI=1S/C16H17Cl2NO4S/c1-3-22-15-6-5-13(10-16(15)23-4-2)19-24(20,21)14-8-11(17)7-12(18)9-14/h5-10,19H,3-4H2,1-2H3
InChIKeyMAKZTCKUPABDBE-UHFFFAOYSA-N
MW390.29 g/mol
LogP4.59
Rot. Bonds7

About 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide

3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide (PubChem CID 8851611) has the molecular formula C16H17Cl2NO4S and a molecular weight of 390.29 g/mol. Its IUPAC name is 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
PubChem CID8851611
Molecular FormulaC16H17Cl2NO4S
Molecular Weight390.29 g/mol
Exact Mass389.03
IUPAC Name3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OCC
InChIInChI=1S/C16H17Cl2NO4S/c1-3-22-15-6-5-13(10-16(15)23-4-2)19-24(20,21)14-8-11(17)7-12(18)9-14/h5-10,19H,3-4H2,1-2H3
InChIKeyMAKZTCKUPABDBE-UHFFFAOYSA-N
XLogP4.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-diethoxy-4-(sulfamoylamino)benzene
CID 112573189
3,4-diethoxy-N-(4-methylsulfonylphenyl)benzenesulfonamide
CID 9056028
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-3-(3,4-diethoxyphenyl)propanamide
CID 43885129
3,4-diethoxy-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 27658093
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
N-[4-(diethylamino)phenyl]-3,4-diethoxybenzenesulfonamide
CID 9030499
3,4-diethoxy-N-(3-iodophenyl)benzenesulfonamide
CID 27658180
N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656762
N-(4-ethoxy-3-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917021
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide (CID 8851611) is 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1OCC.
What is the InChIKey of 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide?
The InChIKey is MAKZTCKUPABDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO4S/c1-3-22-15-6-5-13(10-16(15)23-4-2)19-24(20,21)14-8-11(17)7-12(18)9-14/h5-10,19H,3-4H2,1-2H3.
What are the key properties of 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide?
3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide has a molecular weight of 390.29 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(3,4-diethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 8851611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).