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

C8H9ClF2N2O2S — CID 115405354

IUPAC3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC(F)F)ccc1Cl
InChIInChI=1S/C8H9ClF2N2O2S/c9-6-2-1-5(3-7(6)12)16(14,15)13-4-8(10)11/h1-3,8,13H,4,12H2
InChIKeyOJNVDDHYJSZUNW-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.47
Rot. Bonds4

About 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide

3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 115405354) has the molecular formula C8H9ClF2N2O2S and a molecular weight of 270.69 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID115405354
Molecular FormulaC8H9ClF2N2O2S
Molecular Weight270.69 g/mol
Exact Mass270.00
IUPAC Name3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC(F)F)ccc1Cl
InChIInChI=1S/C8H9ClF2N2O2S/c9-6-2-1-5(3-7(6)12)16(14,15)13-4-8(10)11/h1-3,8,13H,4,12H2
InChIKeyOJNVDDHYJSZUNW-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

3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 53409667
3-amino-4-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115324593
2-chloro-5-(difluoromethylsulfonyl)aniline
CID 825468
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
3-[(3-amino-4-chlorophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274921
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
2-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115405321
3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899207
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051
2-[(3-amino-4-chlorophenyl)sulfonylamino]-N-tert-butylacetamide
CID 115355917
3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
CID 79090939

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide (CID 115405354) is 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide is Nc1cc(S(=O)(=O)NCC(F)F)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is OJNVDDHYJSZUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O2S/c9-6-2-1-5(3-7(6)12)16(14,15)13-4-8(10)11/h1-3,8,13H,4,12H2.
What are the key properties of 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide?
3-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 3-amino-4-chloro-N-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 115405354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).