N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide

C11H13Cl2FN2O2S — CID 103089145

IUPACN-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CC1
InChIInChI=1S/C11H13Cl2FN2O2S/c12-7-3-4-9(10(13)11(7)14)19(17,18)16-5-8(15)6-1-2-6/h3-4,6,8,16H,1-2,5,15H2
InChIKeyOEAOGLSCPSJZFC-UHFFFAOYSA-N
MW327.21 g/mol
LogP2.15
Rot. Bonds5

About N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide

N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide (PubChem CID 103089145) has the molecular formula C11H13Cl2FN2O2S and a molecular weight of 327.21 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
PubChem CID103089145
Molecular FormulaC11H13Cl2FN2O2S
Molecular Weight327.21 g/mol
Exact Mass326.01
IUPAC NameN-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CC1
InChIInChI=1S/C11H13Cl2FN2O2S/c12-7-3-4-9(10(13)11(7)14)19(17,18)16-5-8(15)6-1-2-6/h3-4,6,8,16H,1-2,5,15H2
InChIKeyOEAOGLSCPSJZFC-UHFFFAOYSA-N
XLogP2.15
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
N-(2-amino-2-cyclopropylethyl)-2,3,4-trifluorobenzenesulfonamide;hydrochloride
CID 120713268
N-(2-amino-2-cyclopropylethyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 120582919
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 120582899
N-(2-amino-2-cyclopropylethyl)-2-chloro-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582373
N-(2-amino-2-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120582799
N-(2-amino-2-cyclopropylethyl)-2-chloro-6-fluorobenzenesulfonamide
CID 120713301
2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide
CID 103088944
N-(2-amino-2-cyclopropylethyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 115301403
N-(2-amino-2-cyclopropylethyl)-2-methylsulfanylbenzenesulfonamide
CID 120713278
N-(2-bromopentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103089842
N-(2-bromo-4,4-dimethylpentyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107158110

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide (CID 103089145) is N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide is NC(CNS(=O)(=O)c1ccc(Cl)c(F)c1Cl)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The InChIKey is OEAOGLSCPSJZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FN2O2S/c12-7-3-4-9(10(13)11(7)14)19(17,18)16-5-8(15)6-1-2-6/h3-4,6,8,16H,1-2,5,15H2.
What are the key properties of N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide has a molecular weight of 327.21 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-2,4-dichloro-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103089145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).