N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide

C20H14F4N2O4S — CID 155882993

IUPACN-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H14F4N2O4S/c21-13-8-12(9-14(22)10-13)19(27)25-16-2-1-3-18(11-16)31(28,29)26-15-4-6-17(7-5-15)30-20(23)24/h1-11,20,26H,(H,25,27)
InChIKeyRCXBNPJQQXMWGZ-UHFFFAOYSA-N
MW454.40 g/mol
LogP4.62
Rot. Bonds7

About N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide

N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide (PubChem CID 155882993) has the molecular formula C20H14F4N2O4S and a molecular weight of 454.40 g/mol. Its IUPAC name is N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide
PubChem CID155882993
Molecular FormulaC20H14F4N2O4S
Molecular Weight454.40 g/mol
Exact Mass454.06
IUPAC NameN-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H14F4N2O4S/c21-13-8-12(9-14(22)10-13)19(27)25-16-2-1-3-18(11-16)31(28,29)26-15-4-6-17(7-5-15)30-20(23)24/h1-11,20,26H,(H,25,27)
InChIKeyRCXBNPJQQXMWGZ-UHFFFAOYSA-N
XLogP4.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide?
The IUPAC name of N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide (CID 155882993) is N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide is O=C(Nc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide?
The InChIKey is RCXBNPJQQXMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O4S/c21-13-8-12(9-14(22)10-13)19(27)25-16-2-1-3-18(11-16)31(28,29)26-15-4-6-17(7-5-15)30-20(23)24/h1-11,20,26H,(H,25,27).
What are the key properties of N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide?
N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide has a molecular weight of 454.40 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(difluoromethoxy)phenyl]sulfamoyl]phenyl]-3,5-difluorobenzamide is sourced from PubChem (CID 155882993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).