3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide

C17H20ClNO3S — CID 39655236

IUPAC3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCCOCc1ccc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO3S/c1-3-22-12-15-7-5-14(6-8-15)11-19-23(20,21)16-9-4-13(2)17(18)10-16/h4-10,19H,3,11-12H2,1-2H3
InChIKeyCZESRMNPQOYKQP-UHFFFAOYSA-N
MW353.87 g/mol
LogP3.66
Rot. Bonds7

About 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide

3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 39655236) has the molecular formula C17H20ClNO3S and a molecular weight of 353.87 g/mol. Its IUPAC name is 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide
PubChem CID39655236
Molecular FormulaC17H20ClNO3S
Molecular Weight353.87 g/mol
Exact Mass353.09
IUPAC Name3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCCOCc1ccc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H20ClNO3S/c1-3-22-12-15-7-5-14(6-8-15)11-19-23(20,21)16-9-4-13(2)17(18)10-16/h4-10,19H,3,11-12H2,1-2H3
InChIKeyCZESRMNPQOYKQP-UHFFFAOYSA-N
XLogP3.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.87
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3,5-dichloro-N-[[4-(ethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 35616347
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
N-[(3-chloro-4-methylphenyl)methyl]-3-methylbenzenesulfonamide
CID 3714590
3-chloro-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylbenzenesulfonamide
CID 39630547
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302
3-chloro-4-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 3779022
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
3-chloro-4-methyl-N-[(2-propan-2-yloxy-4-pyridinyl)methyl]benzenesulfonamide
CID 71910816

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide (CID 39655236) is 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide is CCOCc1ccc(CNS(=O)(=O)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is CZESRMNPQOYKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3S/c1-3-22-12-15-7-5-14(6-8-15)11-19-23(20,21)16-9-4-13(2)17(18)10-16/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide?
3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 353.87 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(ethoxymethyl)phenyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 39655236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).