N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide

C16H18ClNO5S — CID 991743

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C16H18ClNO5S/c1-4-23-11-5-7-12(8-6-11)24(19,20)18-14-10-15(21-2)13(17)9-16(14)22-3/h5-10,18H,4H2,1-3H3
InChIKeyUBYVPVDTVMTKIM-UHFFFAOYSA-N
MW371.84 g/mol
LogP3.56
Rot. Bonds7

About N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide

N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide (PubChem CID 991743) has the molecular formula C16H18ClNO5S and a molecular weight of 371.84 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide
PubChem CID991743
Molecular FormulaC16H18ClNO5S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
InChIInChI=1S/C16H18ClNO5S/c1-4-23-11-5-7-12(8-6-11)24(19,20)18-14-10-15(21-2)13(17)9-16(14)22-3/h5-10,18H,4H2,1-3H3
InChIKeyUBYVPVDTVMTKIM-UHFFFAOYSA-N
XLogP3.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide (CID 991743) is N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide?
The InChIKey is UBYVPVDTVMTKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO5S/c1-4-23-11-5-7-12(8-6-11)24(19,20)18-14-10-15(21-2)13(17)9-16(14)22-3/h5-10,18H,4H2,1-3H3.
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide has a molecular weight of 371.84 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 991743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).