3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide

C17H18ClF2NO5S — CID 55681769

IUPAC3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClF2NO5S/c1-10(13-8-11(24-2)4-6-15(13)25-3)21-27(22,23)12-5-7-16(14(18)9-12)26-17(19)20/h4-10,17,21H,1-3H3
InChIKeySTTMVWMFJJSTKO-UHFFFAOYSA-N
MW421.85 g/mol
LogP4.00
Rot. Bonds8

About 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide

3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 55681769) has the molecular formula C17H18ClF2NO5S and a molecular weight of 421.85 g/mol. Its IUPAC name is 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
PubChem CID55681769
Molecular FormulaC17H18ClF2NO5S
Molecular Weight421.85 g/mol
Exact Mass421.06
IUPAC Name3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClF2NO5S/c1-10(13-8-11(24-2)4-6-15(13)25-3)21-27(22,23)12-5-7-16(14(18)9-12)26-17(19)20/h4-10,17,21H,1-3H3
InChIKeySTTMVWMFJJSTKO-UHFFFAOYSA-N
XLogP4.00
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
4-cyano-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 9190439
5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 133203803
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 22206255
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 9190468
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
3-chloro-4-(difluoromethoxy)-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 97257901
5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 100553276

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide (CID 55681769) is 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(OC)c(C(C)NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1.
What is the InChIKey of 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is STTMVWMFJJSTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2NO5S/c1-10(13-8-11(24-2)4-6-15(13)25-3)21-27(22,23)12-5-7-16(14(18)9-12)26-17(19)20/h4-10,17,21H,1-3H3.
What are the key properties of 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide?
3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 421.85 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(difluoromethoxy)-N-[1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 55681769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).