N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide

C7H7ClF2N2O2S — CID 28606569

IUPACN-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide
SMILESNc1cc(Cl)ccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H7ClF2N2O2S/c8-4-1-2-6(5(11)3-4)12-15(13,14)7(9)10/h1-3,7,12H,11H2
InChIKeyQCIQZJHLIAISOX-UHFFFAOYSA-N
MW256.66 g/mol
LogP1.89
Rot. Bonds3

About N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide

N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide (PubChem CID 28606569) has the molecular formula C7H7ClF2N2O2S and a molecular weight of 256.66 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide
PubChem CID28606569
Molecular FormulaC7H7ClF2N2O2S
Molecular Weight256.66 g/mol
Exact Mass255.99
IUPAC NameN-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide
SMILESNc1cc(Cl)ccc1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H7ClF2N2O2S/c8-4-1-2-6(5(11)3-4)12-15(13,14)7(9)10/h1-3,7,12H,11H2
InChIKeyQCIQZJHLIAISOX-UHFFFAOYSA-N
XLogP1.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-(4-amino-2-cyanophenyl)-1,1-difluoromethanesulfonamide
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CID 61072072
2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide (CID 28606569) is N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide is Nc1cc(Cl)ccc1NS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide?
The InChIKey is QCIQZJHLIAISOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O2S/c8-4-1-2-6(5(11)3-4)12-15(13,14)7(9)10/h1-3,7,12H,11H2.
What are the key properties of N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide?
N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide has a molecular weight of 256.66 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 28606569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).