N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide

C12H10F2N2O2S — CID 43167024

IUPACN-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H10F2N2O2S/c13-11-5-4-10(7-12(11)14)19(17,18)16-9-3-1-2-8(15)6-9/h1-7,16H,15H2
InChIKeyZQEQFWJHPVPDIW-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.35
Rot. Bonds3

About N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide

N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 43167024) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
PubChem CID43167024
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC NameN-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
SMILESNc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H10F2N2O2S/c13-11-5-4-10(7-12(11)14)19(17,18)16-9-3-1-2-8(15)6-9/h1-7,16H,15H2
InChIKeyZQEQFWJHPVPDIW-UHFFFAOYSA-N
XLogP2.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.35
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

N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
3-[(3,4-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43167034
N-[3-(1-aminoethyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 43167031
N-(3-cyclopentyloxyphenyl)-3,4-difluorobenzenesulfonamide
CID 35547755
3-amino-N-(3-chlorophenyl)benzenesulfonamide
CID 3828479
N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540844
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(3-aminophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17217527
N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 43602694
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
N-(3,5-dichlorophenyl)-3,4-difluorobenzenesulfonamide
CID 3702957

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide (CID 43167024) is N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide is Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is ZQEQFWJHPVPDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-11-5-4-10(7-12(11)14)19(17,18)16-9-3-1-2-8(15)6-9/h1-7,16H,15H2.
What are the key properties of N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide?
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 284.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43167024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).