N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide

C10H13Cl2NO3S — CID 110789595

IUPACN-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1cc(Cl)c(CCNS(C)(=O)=O)cc1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-16-10-6-8(11)7(5-9(10)12)3-4-13-17(2,14)15/h5-6,13H,3-4H2,1-2H3
InChIKeyJUTPGGAFPIGOFB-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.09
Rot. Bonds5

About N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide

N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide (PubChem CID 110789595) has the molecular formula C10H13Cl2NO3S and a molecular weight of 298.19 g/mol. Its IUPAC name is N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide
PubChem CID110789595
Molecular FormulaC10H13Cl2NO3S
Molecular Weight298.19 g/mol
Exact Mass297.00
IUPAC NameN-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide
SMILESCOc1cc(Cl)c(CCNS(C)(=O)=O)cc1Cl
InChIInChI=1S/C10H13Cl2NO3S/c1-16-10-6-8(11)7(5-9(10)12)3-4-13-17(2,14)15/h5-6,13H,3-4H2,1-2H3
InChIKeyJUTPGGAFPIGOFB-UHFFFAOYSA-N
XLogP2.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichloro-4-methoxyphenyl)ethylurea
CID 115168522
2-(2,4-dichloro-5-methoxyphenyl)-N-methylethanamine
CID 83895894
N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 110789568
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
N-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]acetamide
CID 110788808
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
2-[2-(5-chloro-4-methoxy-2-methylphenyl)ethylamino]acetonitrile
CID 115131221
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
CID 110769539
methyl 3-(5-chloro-4-methoxy-2-methylphenyl)propanoate
CID 116927426
(4-chloro-5-methoxy-2-methylphenyl)methanesulfonyl chloride
CID 84808565
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide (CID 110789595) is N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide is COc1cc(Cl)c(CCNS(C)(=O)=O)cc1Cl.
What is the InChIKey of N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide?
The InChIKey is JUTPGGAFPIGOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO3S/c1-16-10-6-8(11)7(5-9(10)12)3-4-13-17(2,14)15/h5-6,13H,3-4H2,1-2H3.
What are the key properties of N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide?
N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide has a molecular weight of 298.19 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 110789595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).