2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide

C8H9ClF2N2O2S — CID 115405321

IUPAC2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H9ClF2N2O2S/c9-5-1-2-7(6(12)3-5)16(14,15)13-4-8(10)11/h1-3,8,13H,4,12H2
InChIKeyPEDCFLXLGWQKBH-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.47
Rot. Bonds4

About 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide

2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 115405321) has the molecular formula C8H9ClF2N2O2S and a molecular weight of 270.69 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID115405321
Molecular FormulaC8H9ClF2N2O2S
Molecular Weight270.69 g/mol
Exact Mass270.00
IUPAC Name2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESNc1cc(Cl)ccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H9ClF2N2O2S/c9-5-1-2-7(6(12)3-5)16(14,15)13-4-8(10)11/h1-3,8,13H,4,12H2
InChIKeyPEDCFLXLGWQKBH-UHFFFAOYSA-N
XLogP1.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.47
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

2-amino-4-chloro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 107213300
2-amino-4-chloro-N-(2,3-dimethylbutyl)benzenesulfonamide
CID 64569599
2-amino-4-chloro-N-(2-hydroxy-4-methylpentyl)benzenesulfonamide
CID 107150822
3-amino-4-(2,2-difluoroethylsulfamoyl)benzoic acid
CID 113303512
2-amino-4-chloro-N-(2-hydroxypentyl)benzenesulfonamide
CID 113495498
2-amino-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43345872
2-amino-4-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333180
4-amino-N-(2,2-difluoroethyl)naphthalene-1-sulfonamide
CID 112594590
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405354
2-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970037
3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274947

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide (CID 115405321) is 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide is Nc1cc(Cl)ccc1S(=O)(=O)NCC(F)F.
What is the InChIKey of 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is PEDCFLXLGWQKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O2S/c9-5-1-2-7(6(12)3-5)16(14,15)13-4-8(10)11/h1-3,8,13H,4,12H2.
What are the key properties of 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide has a molecular weight of 270.69 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 115405321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).