4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide

C14H10ClF2NO4S — CID 66767003

IUPAC4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2cccc(Cl)c2)cc1F
InChIInChI=1S/C14H10ClF2NO4S/c1-23(20,21)18-14(19)10-6-12(17)13(7-11(10)16)22-9-4-2-3-8(15)5-9/h2-7H,1H3,(H,18,19)
InChIKeyUWHGQLDIMVPDTB-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.10
Rot. Bonds4

About 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide

4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide (PubChem CID 66767003) has the molecular formula C14H10ClF2NO4S and a molecular weight of 361.75 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
PubChem CID66767003
Molecular FormulaC14H10ClF2NO4S
Molecular Weight361.75 g/mol
Exact Mass361.00
IUPAC Name4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(F)c(Oc2cccc(Cl)c2)cc1F
InChIInChI=1S/C14H10ClF2NO4S/c1-23(20,21)18-14(19)10-6-12(17)13(7-11(10)16)22-9-4-2-3-8(15)5-9/h2-7H,1H3,(H,18,19)
InChIKeyUWHGQLDIMVPDTB-UHFFFAOYSA-N
XLogP3.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(3-chlorophenoxy)-N-methylsulfonylbenzamide
CID 146154870
4-(3-cyanophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66766760
4-(2,3-dichlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667432
2,5-difluoro-4-[(6-methoxy-3-pyridinyl)oxy]-N-methylsulfonylbenzamide
CID 66666992
4-[4-chloro-3-(trifluoromethyl)phenoxy]-2-fluoro-5-methyl-N-methylsulfonylbenzamide
CID 56592533
5-chloro-4-[[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]oxy]-2-fluoro-N-methylsulfonylbenzamide
CID 58042409
2,5-difluoro-N-methylsulfonyl-4-quinazolin-2-yloxybenzamide
CID 66667368
4-(3-chloro-4-fluorophenoxy)-N-methylsulfonylbenzamide
CID 66767262
4-[(3,4-dichlorophenoxy)methyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 66667669
4-[5-chloro-6-(3-chloro-2-methylphenoxy)-3-pyridinyl]-2-fluoro-5-methoxy-N-methylsulfonylbenzamide
CID 91884603
4-[5-chloro-6-(2,4,6-trichlorophenoxy)-3-pyridinyl]-2,5-difluoro-N-methylsulfonylbenzamide
CID 122422604
5-(2-ethoxy-3-pyridinyl)-2-fluoro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 71612521

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
The IUPAC name of 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide (CID 66767003) is 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(F)c(Oc2cccc(Cl)c2)cc1F.
What is the InChIKey of 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
The InChIKey is UWHGQLDIMVPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO4S/c1-23(20,21)18-14(19)10-6-12(17)13(7-11(10)16)22-9-4-2-3-8(15)5-9/h2-7H,1H3,(H,18,19).
What are the key properties of 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide?
4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide has a molecular weight of 361.75 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-2,5-difluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 66767003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).