N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide

C12H18ClNO3S — CID 110789568

IUPACN-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
SMILESCOc1cc(C)c(Cl)c(C)c1CCNS(C)(=O)=O
InChIInChI=1S/C12H18ClNO3S/c1-8-7-11(17-3)10(9(2)12(8)13)5-6-14-18(4,15)16/h7,14H,5-6H2,1-4H3
InChIKeyDPSAXYDFWXLPJA-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.06
Rot. Bonds5

About N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide

N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide (PubChem CID 110789568) has the molecular formula C12H18ClNO3S and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
PubChem CID110789568
Molecular FormulaC12H18ClNO3S
Molecular Weight291.80 g/mol
Exact Mass291.07
IUPAC NameN-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
SMILESCOc1cc(C)c(Cl)c(C)c1CCNS(C)(=O)=O
InChIInChI=1S/C12H18ClNO3S/c1-8-7-11(17-3)10(9(2)12(8)13)5-6-14-18(4,15)16/h7,14H,5-6H2,1-4H3
InChIKeyDPSAXYDFWXLPJA-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
CID 112513727
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
CID 110775927
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol
CID 82482793
N-[2-(2,5-dichloro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 110789595
ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
CID 110782966
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanethioamide
CID 83938122
3-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methylamino]propanoic acid
CID 98033447
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]ethanesulfonamide
CID 110788053
2-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-N-methylethanamine
CID 82553120
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 110769484
3-chloro-6-methoxy-2,4-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 110758505

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide (CID 110789568) is N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide is COc1cc(C)c(Cl)c(C)c1CCNS(C)(=O)=O.
What is the InChIKey of N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide?
The InChIKey is DPSAXYDFWXLPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3S/c1-8-7-11(17-3)10(9(2)12(8)13)5-6-14-18(4,15)16/h7,14H,5-6H2,1-4H3.
What are the key properties of N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide?
N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 110789568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).