1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide

C16H18ClNO3S — CID 30380870

IUPAC1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO3S/c1-2-21-16-6-4-3-5-14(16)11-18-22(19,20)12-13-7-9-15(17)10-8-13/h3-10,18H,2,11-12H2,1H3
InChIKeyYJIFDDYQTXIJHV-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.36
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide (PubChem CID 30380870) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
PubChem CID30380870
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide
SMILESCCOc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClNO3S/c1-2-21-16-6-4-3-5-14(16)11-18-22(19,20)12-13-7-9-15(17)10-8-13/h3-10,18H,2,11-12H2,1H3
InChIKeyYJIFDDYQTXIJHV-UHFFFAOYSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[(2-ethoxyphenyl)methyl]benzenesulfonamide
CID 3832816
2-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]ethanamine
CID 17208464
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
CID 900682
N-[(3,4-diethoxyphenyl)methyl]-1-phenylmethanesulfonamide
CID 22206211
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 111880629
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
N-[(4-ethoxy-3-fluorophenyl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110782026
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 4716575
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
3-[(2-ethoxyphenyl)methylsulfamoyl]-4-fluorobenzoate
CID 9160157
(2R)-2-(4-chlorophenyl)sulfanyl-N-[(2-ethoxyphenyl)methyl]propanamide
CID 92676037
2-[(2-ethoxyphenyl)methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 22300640

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide (CID 30380870) is 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide is CCOc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide?
The InChIKey is YJIFDDYQTXIJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-2-21-16-6-4-3-5-14(16)11-18-22(19,20)12-13-7-9-15(17)10-8-13/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 30380870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).