2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide

C13H10ClFN2O3S — CID 4793321

IUPAC2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClFN2O3S/c14-8-5-6-12(10(15)7-8)21(19,20)17-11-4-2-1-3-9(11)13(16)18/h1-7,17H,(H2,16,18)
InChIKeyIPLKZRGXIXOUQY-UHFFFAOYSA-N
MW328.75 g/mol
LogP2.38
Rot. Bonds4

About 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide

2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide (PubChem CID 4793321) has the molecular formula C13H10ClFN2O3S and a molecular weight of 328.75 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
PubChem CID4793321
Molecular FormulaC13H10ClFN2O3S
Molecular Weight328.75 g/mol
Exact Mass328.01
IUPAC Name2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C13H10ClFN2O3S/c14-8-5-6-12(10(15)7-8)21(19,20)17-11-4-2-1-3-9(11)13(16)18/h1-7,17H,(H2,16,18)
InChIKeyIPLKZRGXIXOUQY-UHFFFAOYSA-N
XLogP2.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-5-chlorophenyl)sulfonylamino]benzamide
CID 60986317
4-chloro-2-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663261
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43236177
2-[(2-aminophenyl)sulfonylamino]benzamide
CID 43576271
5-chloro-2-fluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 110759379
[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
CID 36510536
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000902
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(4-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 61470421

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide (CID 4793321) is 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide is NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide?
The InChIKey is IPLKZRGXIXOUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3S/c14-8-5-6-12(10(15)7-8)21(19,20)17-11-4-2-1-3-9(11)13(16)18/h1-7,17H,(H2,16,18).
What are the key properties of 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide?
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide has a molecular weight of 328.75 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 4793321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).