N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide

C16H18ClNO4S — CID 17435586

IUPACN-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C16H18ClNO4S/c1-21-14-7-8-16(15(11-14)22-2)23(19,20)18-10-9-12-3-5-13(17)6-4-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyYCZTWWGWXSJXIM-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.88
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide

N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide (PubChem CID 17435586) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
PubChem CID17435586
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C16H18ClNO4S/c1-21-14-7-8-16(15(11-14)22-2)23(19,20)18-10-9-12-3-5-13(17)6-4-12/h3-8,11,18H,9-10H2,1-2H3
InChIKeyYCZTWWGWXSJXIM-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 17375973
4-chloro-N-[2-(2,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 110601508
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991
4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
N-(6-hydroxyhexyl)-2,4-dimethoxybenzenesulfonamide
CID 103918378
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1314394
2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546
4-fluoro-3-[2-(4-methoxyphenyl)ethylsulfamoyl]benzoic acid
CID 9160344

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide (CID 17435586) is N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide?
The InChIKey is YCZTWWGWXSJXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c1-21-14-7-8-16(15(11-14)22-2)23(19,20)18-10-9-12-3-5-13(17)6-4-12/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide?
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 17435586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).