4-chloro-1-fluoro-2-(sulfamoylamino)benzene

C6H6ClFN2O2S — CID 112573776

IUPAC4-chloro-1-fluoro-2-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C6H6ClFN2O2S/c7-4-1-2-5(8)6(3-4)10-13(9,11)12/h1-3,10H,(H2,9,11,12)
InChIKeyDUPHFENQRWUGAW-UHFFFAOYSA-N
MW224.64 g/mol
LogP1.09
Rot. Bonds2

About 4-chloro-1-fluoro-2-(sulfamoylamino)benzene

4-chloro-1-fluoro-2-(sulfamoylamino)benzene (PubChem CID 112573776) has the molecular formula C6H6ClFN2O2S and a molecular weight of 224.64 g/mol. Its IUPAC name is 4-chloro-1-fluoro-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name4-chloro-1-fluoro-2-(sulfamoylamino)benzene
PubChem CID112573776
Molecular FormulaC6H6ClFN2O2S
Molecular Weight224.64 g/mol
Exact Mass223.98
IUPAC Name4-chloro-1-fluoro-2-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C6H6ClFN2O2S/c7-4-1-2-5(8)6(3-4)10-13(9,11)12/h1-3,10H,(H2,9,11,12)
InChIKeyDUPHFENQRWUGAW-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-hydroxy-2-(sulfamoylamino)benzene
CID 28895885
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185
4-chloro-N'-hydroxy-2-(sulfamoylamino)benzenecarboximidamide
CID 114959569
methyl 4-chloro-2-(sulfamoylamino)benzoate
CID 112573367
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455202
4-(aminomethyl)-N-(5-chloro-2-fluorophenyl)benzenesulfonamide
CID 60822640
4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
CID 116815061
4-bromo-N-(5-chloro-2-fluorophenyl)-2-fluorobenzenesulfonamide
CID 116528139
1-bromo-2,4-difluoro-5-(sulfamoylamino)benzene
CID 102855195
methyl 5-chloro-2-(sulfamoylamino)benzoate
CID 112573330

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-fluoro-2-(sulfamoylamino)benzene?
The IUPAC name of 4-chloro-1-fluoro-2-(sulfamoylamino)benzene (CID 112573776) is 4-chloro-1-fluoro-2-(sulfamoylamino)benzene.
What is the SMILES notation for 4-chloro-1-fluoro-2-(sulfamoylamino)benzene?
The canonical SMILES for 4-chloro-1-fluoro-2-(sulfamoylamino)benzene is NS(=O)(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of 4-chloro-1-fluoro-2-(sulfamoylamino)benzene?
The InChIKey is DUPHFENQRWUGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2O2S/c7-4-1-2-5(8)6(3-4)10-13(9,11)12/h1-3,10H,(H2,9,11,12).
What are the key properties of 4-chloro-1-fluoro-2-(sulfamoylamino)benzene?
4-chloro-1-fluoro-2-(sulfamoylamino)benzene has a molecular weight of 224.64 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-fluoro-2-(sulfamoylamino)benzene is sourced from PubChem (CID 112573776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).