N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide

C15H16ClNO4S — CID 110777436

IUPACN-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C15H16ClNO4S/c1-3-21-15-9-4-11(10-14(15)16)17-22(18,19)13-7-5-12(20-2)6-8-13/h4-10,17H,3H2,1-2H3
InChIKeyFQCBEEUTQMYDHS-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.55
Rot. Bonds6

About N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide

N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide (PubChem CID 110777436) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
PubChem CID110777436
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C15H16ClNO4S/c1-3-21-15-9-4-11(10-14(15)16)17-22(18,19)13-7-5-12(20-2)6-8-13/h4-10,17H,3H2,1-2H3
InChIKeyFQCBEEUTQMYDHS-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyrimidine-5-sulfonamide
CID 61040955
N-(3-ethyl-4-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777211
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
3-chloro-4-ethoxy-N-phenylbenzenesulfonamide
CID 110758153
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
N-(3-chloro-4-ethoxyphenyl)propane-1-sulfonamide
CID 61062480
N-(1,3-benzodioxol-5-yl)-3-chloro-4-ethoxybenzenesulfonamide
CID 6491906
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554168

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide (CID 110777436) is N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide?
The InChIKey is FQCBEEUTQMYDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-3-21-15-9-4-11(10-14(15)16)17-22(18,19)13-7-5-12(20-2)6-8-13/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide?
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110777436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).