(4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide

C20H14ClF2N2O4S- — CID 4748446

IUPAC(4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide
SMILESO=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C20H14ClF2N2O4S/c21-13-5-7-15(8-6-13)25-30(27,28)16-11-9-14(10-12-16)24-19(26)17-3-1-2-4-18(17)29-20(22)23/h1-12,20H,(H,24,26)/q-1
InChIKeyGZSQMNBAYYVFSQ-UHFFFAOYSA-N
MW451.86 g/mol
LogP5.59
Rot. Bonds7

About (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide

(4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide (PubChem CID 4748446) has the molecular formula C20H14ClF2N2O4S- and a molecular weight of 451.86 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide
PubChem CID4748446
Molecular FormulaC20H14ClF2N2O4S-
Molecular Weight451.86 g/mol
Exact Mass451.03
IUPAC Name(4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide
SMILESO=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C20H14ClF2N2O4S/c21-13-5-7-15(8-6-13)25-30(27,28)16-11-9-14(10-12-16)24-19(26)17-3-1-2-4-18(17)29-20(22)23/h1-12,20H,(H,24,26)/q-1
InChIKeyGZSQMNBAYYVFSQ-UHFFFAOYSA-N
XLogP5.59
TPSA86.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.86
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[[2-(difluoromethoxy)benzoyl]amino]thiourea
CID 998417
2-(difluoromethoxy)-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 34174804
2-(difluoromethoxy)-N-[4-(sulfamoylmethyl)phenyl]benzamide
CID 39977055
2-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 26904916
N-(4-bromo-3-fluorophenyl)-2-(difluoromethoxy)benzamide
CID 65436031
N-(2-bromo-5-chlorophenyl)-2-(difluoromethoxy)benzamide
CID 81260760
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-(difluoromethoxy)-N-(1H-pyrazol-4-yl)benzamide
CID 43429728
methyl 3-[[2-(difluoromethoxy)benzoyl]amino]benzoate
CID 17414154
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759479
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 4529855

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide?
The IUPAC name of (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide (CID 4748446) is (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide.
What is the SMILES notation for (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide?
The canonical SMILES for (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide is O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccccc1OC(F)F.
What is the InChIKey of (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide?
The InChIKey is GZSQMNBAYYVFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N2O4S/c21-13-5-7-15(8-6-13)25-30(27,28)16-11-9-14(10-12-16)24-19(26)17-3-1-2-4-18(17)29-20(22)23/h1-12,20H,(H,24,26)/q-1.
What are the key properties of (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide?
(4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide has a molecular weight of 451.86 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[[2-(difluoromethoxy)benzoyl]amino]phenyl]sulfonylazanide is sourced from PubChem (CID 4748446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).