3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide

C16H16F2N2O4S — CID 26800768

IUPAC3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F2N2O4S/c17-16(18)24-13-8-6-12(7-9-13)20-15(21)10-11-19-25(22,23)14-4-2-1-3-5-14/h1-9,16,19H,10-11H2,(H,20,21)
InChIKeyBIRMYIWWQUSMMT-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.60
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide

3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 26800768) has the molecular formula C16H16F2N2O4S and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID26800768
Molecular FormulaC16H16F2N2O4S
Molecular Weight370.38 g/mol
Exact Mass370.08
IUPAC Name3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F2N2O4S/c17-16(18)24-13-8-6-12(7-9-13)20-15(21)10-11-19-25(22,23)14-4-2-1-3-5-14/h1-9,16,19H,10-11H2,(H,20,21)
InChIKeyBIRMYIWWQUSMMT-UHFFFAOYSA-N
XLogP2.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-N-[4-(difluoromethoxy)phenyl]propanamide
CID 26800761
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693
3-[(4-tert-butylphenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 60516647
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
3-(benzenesulfonamido)-N-(4-propylphenyl)propanamide
CID 18128082
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide
CID 134034634
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
N-(4-acetamidophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192669
3-(benzenesulfonamido)-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 17225945

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide (CID 26800768) is 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is BIRMYIWWQUSMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O4S/c17-16(18)24-13-8-6-12(7-9-13)20-15(21)10-11-19-25(22,23)14-4-2-1-3-5-14/h1-9,16,19H,10-11H2,(H,20,21).
What are the key properties of 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide?
3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 370.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 26800768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).