N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide

C16H18ClNO3S — CID 37477890

IUPACN-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C16H18ClNO3S/c1-3-21-16-9-8-14(10-12(16)2)22(19,20)18-11-13-6-4-5-7-15(13)17/h4-10,18H,3,11H2,1-2H3
InChIKeyNTRYSCFWABNPBG-UHFFFAOYSA-N
MW339.84 g/mol
LogP3.53
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide

N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide (PubChem CID 37477890) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
PubChem CID37477890
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC NameN-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C16H18ClNO3S/c1-3-21-16-9-8-14(10-12(16)2)22(19,20)18-11-13-6-4-5-7-15(13)17/h4-10,18H,3,11H2,1-2H3
InChIKeyNTRYSCFWABNPBG-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 39660540
5-tert-butyl-N-[(2-chlorophenyl)methyl]-2-ethoxybenzenesulfonamide
CID 66485819
4-ethoxy-3-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2238756
3,4-diethoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 9186891
3-bromo-4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 106610688
4-N-[(2-chlorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide
CID 58188904
5-[(2-chlorophenyl)methylsulfamoyl]-2-methoxybenzamide
CID 34029898
4-ethoxy-3-methyl-N-(2-methylphenyl)benzenesulfonamide
CID 4214214
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
3-chloro-N-[(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 3299523
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide (CID 37477890) is N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide?
The InChIKey is NTRYSCFWABNPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-3-21-16-9-8-14(10-12(16)2)22(19,20)18-11-13-6-4-5-7-15(13)17/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide?
N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-ethoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 37477890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).