4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

C17H18N2O3S — CID 26544504

IUPAC4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCN(C)S(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H18N2O3S/c1-14-4-3-5-16(12-14)22-11-10-19(2)23(20,21)17-8-6-15(13-18)7-9-17/h3-9,12H,10-11H2,1-2H3
InChIKeyKRMVGYHBHGTFHJ-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.57
Rot. Bonds6

About 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide

4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (PubChem CID 26544504) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
PubChem CID26544504
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
SMILESCc1cccc(OCCN(C)S(=O)(=O)c2ccc(C#N)cc2)c1
InChIInChI=1S/C17H18N2O3S/c1-14-4-3-5-16(12-14)22-11-10-19(2)23(20,21)17-8-6-15(13-18)7-9-17/h3-9,12H,10-11H2,1-2H3
InChIKeyKRMVGYHBHGTFHJ-UHFFFAOYSA-N
XLogP2.57
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-(4-fluorophenoxy)ethyl]-N-methylbenzenesulfonamide
CID 26544726
4-[3-(3-methylphenoxy)propoxy]benzonitrile
CID 43213922
2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
CID 100632666
N-[2-(3-bromophenoxy)ethyl]-N,4-dimethylbenzenesulfonamide
CID 2457467
3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 31949840
2,6-dichloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544497
3-acetyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 26544493
4-[4-[2-(3-methylphenoxy)ethoxy]phenyl]benzonitrile
CID 7670232
4-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]butane-1-sulfonamide
CID 116815366
3-[2-(3-methylphenoxy)ethylsulfonylmethyl]benzonitrile
CID 94805069
4-cyano-N-cyclopropyl-N-[3-(3,5-dimethylphenoxy)propyl]benzenesulfonamide
CID 60522569
N-[(4-cyanophenyl)methyl]-N-methyl-4-(3-methylphenoxy)butanamide
CID 39858840

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide (CID 26544504) is 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is KRMVGYHBHGTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-14-4-3-5-16(12-14)22-11-10-19(2)23(20,21)17-8-6-15(13-18)7-9-17/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide?
4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 26544504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).