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

C17H20ClNO4S — CID 100511297

IUPAC3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO4S/c1-4-19(13-6-8-14(9-7-13)23-5-2)24(20,21)15-10-11-17(22-3)16(18)12-15/h6-12H,4-5H2,1-3H3
InChIKeyUQRPUEIKRIYVGC-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.96
Rot. Bonds7

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

3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 100511297) has the molecular formula C17H20ClNO4S and a molecular weight of 369.87 g/mol. Its IUPAC name is 3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID100511297
Molecular FormulaC17H20ClNO4S
Molecular Weight369.87 g/mol
Exact Mass369.08
IUPAC Name3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO4S/c1-4-19(13-6-8-14(9-7-13)23-5-2)24(20,21)15-10-11-17(22-3)16(18)12-15/h6-12H,4-5H2,1-3H3
InChIKeyUQRPUEIKRIYVGC-UHFFFAOYSA-N
XLogP3.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513964
methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetate
CID 1311116
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
methyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-4-prop-2-enoxyanilino)acetate
CID 100514854
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(4-ethoxyphenyl)acetamide
CID 1336528
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-ethoxyphenyl)acetamide
CID 53280603
N-(4-ethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 99705186
N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 2927933
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126030854
3-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-ethyl-4-methoxybenzenesulfonamide
CID 100513742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide (CID 100511297) is 3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide is CCOc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is UQRPUEIKRIYVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO4S/c1-4-19(13-6-8-14(9-7-13)23-5-2)24(20,21)15-10-11-17(22-3)16(18)12-15/h6-12H,4-5H2,1-3H3.
What are the key properties of 3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide?
3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 369.87 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-ethoxyphenyl)-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 100511297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).