N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide

C16H17F2NO3S — CID 19684057

IUPACN-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC(F)F)cc1
InChIInChI=1S/C16H17F2NO3S/c1-3-12-5-7-13(8-6-12)23(20,21)19-14-10-11(2)4-9-15(14)22-16(17)18/h4-10,16,19H,3H2,1-2H3
InChIKeyOTTIOECZXPMEEU-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.96
Rot. Bonds6

About N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide

N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide (PubChem CID 19684057) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
PubChem CID19684057
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC NameN-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC(F)F)cc1
InChIInChI=1S/C16H17F2NO3S/c1-3-12-5-7-13(8-6-12)23(20,21)19-14-10-11(2)4-9-15(14)22-16(17)18/h4-10,16,19H,3H2,1-2H3
InChIKeyOTTIOECZXPMEEU-UHFFFAOYSA-N
XLogP3.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide 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

4-ethyl-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 7516558
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethyl-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 56654804
N-[2-(difluoromethoxy)-5-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 19684084
N-[2-(difluoromethoxy)-5-methylphenyl]-1-phenylmethanesulfonamide
CID 19684072
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098
3-chloro-N-(2-chloro-4-methylphenyl)-4-(difluoromethoxy)benzenesulfonamide
CID 39824744
N-[2-(difluoromethoxy)-5-methylphenyl]thiophene-2-sulfonamide
CID 19684078
4-ethyl-N-(2-methoxy-5-propylphenyl)benzenesulfonamide
CID 142273724
4-ethyl-N-(7-methylnaphthalen-1-yl)benzenesulfonamide
CID 121419270
2-[(4-ethylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114828
N-[2-(difluoromethoxy)-5-methylphenyl]-4-methyl-3-[(3R)-3-methylpiperazin-1-yl]benzenesulfonamide
CID 56650021
N-[2-(difluoromethoxy)-4-methylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 22206076

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide (CID 19684057) is N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC(F)F)cc1.
What is the InChIKey of N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide?
The InChIKey is OTTIOECZXPMEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-3-12-5-7-13(8-6-12)23(20,21)19-14-10-11(2)4-9-15(14)22-16(17)18/h4-10,16,19H,3H2,1-2H3.
What are the key properties of N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide?
N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)-5-methylphenyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 19684057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).