2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide

C18H19F2N3O5S — CID 56573264

IUPAC2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2cc(C(N)=O)c(F)cc2F)cc1
InChIInChI=1S/C18H19F2N3O5S/c1-10(2)28-12-5-3-11(4-6-12)23-29(26,27)9-17(24)22-16-7-13(18(21)25)14(19)8-15(16)20/h3-8,10,23H,9H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyVDKFZZONTMFUAX-UHFFFAOYSA-N
MW427.43 g/mol
LogP2.23
Rot. Bonds8

About 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide

2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide (PubChem CID 56573264) has the molecular formula C18H19F2N3O5S and a molecular weight of 427.43 g/mol. Its IUPAC name is 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide
PubChem CID56573264
Molecular FormulaC18H19F2N3O5S
Molecular Weight427.43 g/mol
Exact Mass427.10
IUPAC Name2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide
SMILESCC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2cc(C(N)=O)c(F)cc2F)cc1
InChIInChI=1S/C18H19F2N3O5S/c1-10(2)28-12-5-3-11(4-6-12)23-29(26,27)9-17(24)22-16-7-13(18(21)25)14(19)8-15(16)20/h3-8,10,23H,9H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyVDKFZZONTMFUAX-UHFFFAOYSA-N
XLogP2.23
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55826239
N-(3-methylsulfonylphenyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55975417
N-[3-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]phenyl]pyridine-4-carboxamide
CID 55966179
5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide
CID 79585482
3-methyl-2-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]pentanoic acid
CID 119212048
4-(ethylamino)-2-hydroxy-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide
CID 130406385
2-amino-N-(2-fluoro-4-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119308646
5-(5-aminohexanoylamino)-2,4-difluorobenzamide
CID 82848894
N-piperidin-4-yl-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119387593
2-hydroxy-4-(2-hydroxyethylamino)-5-[(4-propan-2-yloxyphenyl)sulfamoyl]benzamide
CID 130406270
2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxo-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 55973608
2-[propan-2-yl-[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]acetic acid
CID 119198613

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide (CID 56573264) is 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide is CC(C)Oc1ccc(NS(=O)(=O)CC(=O)Nc2cc(C(N)=O)c(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide?
The InChIKey is VDKFZZONTMFUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O5S/c1-10(2)28-12-5-3-11(4-6-12)23-29(26,27)9-17(24)22-16-7-13(18(21)25)14(19)8-15(16)20/h3-8,10,23H,9H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide?
2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide has a molecular weight of 427.43 g/mol, XLogP of 2.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[[2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetyl]amino]benzamide is sourced from PubChem (CID 56573264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).