2,4-difluoro-5-(sulfamoylamino)benzamide

C7H7F2N3O3S — CID 112573250

IUPAC2,4-difluoro-5-(sulfamoylamino)benzamide
SMILESNC(=O)c1cc(NS(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C7H7F2N3O3S/c8-4-2-5(9)6(12-16(11,14)15)1-3(4)7(10)13/h1-2,12H,(H2,10,13)(H2,11,14,15)
InChIKeyRLXAVWCNFMGUEZ-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.32
Rot. Bonds3

About 2,4-difluoro-5-(sulfamoylamino)benzamide

2,4-difluoro-5-(sulfamoylamino)benzamide (PubChem CID 112573250) has the molecular formula C7H7F2N3O3S and a molecular weight of 251.21 g/mol. Its IUPAC name is 2,4-difluoro-5-(sulfamoylamino)benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-(sulfamoylamino)benzamide
PubChem CID112573250
Molecular FormulaC7H7F2N3O3S
Molecular Weight251.21 g/mol
Exact Mass251.02
IUPAC Name2,4-difluoro-5-(sulfamoylamino)benzamide
SMILESNC(=O)c1cc(NS(N)(=O)=O)c(F)cc1F
InChIInChI=1S/C7H7F2N3O3S/c8-4-2-5(9)6(12-16(11,14)15)1-3(4)7(10)13/h1-2,12H,(H2,10,13)(H2,11,14,15)
InChIKeyRLXAVWCNFMGUEZ-UHFFFAOYSA-N
XLogP-0.32
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2,4-difluoro-5-(sulfamoylamino)benzoate
CID 112573353
5-[(3-chloro-2-methylpropyl)sulfonylamino]-2,4-difluorobenzamide
CID 79585482
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
2-chloro-4-fluoro-5-(methanesulfonamido)benzamide;hydrochloride
CID 141137418
2,4-difluoro-5-[[4-[(2-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 56573065
5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
5-(dicyclopropylmethylamino)-2,4-difluorobenzamide
CID 43673804
4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 54868061
5-(but-2-enoylamino)-2,4-difluorobenzamide
CID 78952252
5-(3,3-dimethylbutylamino)-2,4-difluorobenzamide
CID 62964464
5-[(4-chlorophenyl)methylamino]-2,4-difluorobenzamide
CID 43673715
2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
CID 43673793

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(sulfamoylamino)benzamide?
The IUPAC name of 2,4-difluoro-5-(sulfamoylamino)benzamide (CID 112573250) is 2,4-difluoro-5-(sulfamoylamino)benzamide.
What is the SMILES notation for 2,4-difluoro-5-(sulfamoylamino)benzamide?
The canonical SMILES for 2,4-difluoro-5-(sulfamoylamino)benzamide is NC(=O)c1cc(NS(N)(=O)=O)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(sulfamoylamino)benzamide?
The InChIKey is RLXAVWCNFMGUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O3S/c8-4-2-5(9)6(12-16(11,14)15)1-3(4)7(10)13/h1-2,12H,(H2,10,13)(H2,11,14,15).
What are the key properties of 2,4-difluoro-5-(sulfamoylamino)benzamide?
2,4-difluoro-5-(sulfamoylamino)benzamide has a molecular weight of 251.21 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(sulfamoylamino)benzamide is sourced from PubChem (CID 112573250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).