N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide

C14H14ClFN2O2S — CID 75431000

IUPACN-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H14ClFN2O2S/c15-12-7-6-11(16)8-14(12)21(19,20)18-9-13(17)10-4-2-1-3-5-10/h1-8,13,18H,9,17H2
InChIKeyKLMFLULJXDOBDC-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.46
Rot. Bonds5

About N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide

N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide (PubChem CID 75431000) has the molecular formula C14H14ClFN2O2S and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
PubChem CID75431000
Molecular FormulaC14H14ClFN2O2S
Molecular Weight328.80 g/mol
Exact Mass328.04
IUPAC NameN-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
SMILESNC(CNS(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1
InChIInChI=1S/C14H14ClFN2O2S/c15-12-7-6-11(16)8-14(12)21(19,20)18-9-13(17)10-4-2-1-3-5-10/h1-8,13,18H,9,17H2
InChIKeyKLMFLULJXDOBDC-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 119976246
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
2-chloro-N-(2-ethyl-4-hydroxybutyl)-5-fluorobenzenesulfonamide
CID 115701461
N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide
CID 97238577
N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
CID 97238580
N-[(2-aminophenyl)methyl]-2-chloro-5-fluorobenzenesulfonamide
CID 105399556
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
N-(2-bromo-2-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400692
2-chloro-N-(3-ethyl-2-hydroxypentyl)-5-fluorobenzenesulfonamide
CID 103835211

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide (CID 75431000) is N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide is NC(CNS(=O)(=O)c1cc(F)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide?
The InChIKey is KLMFLULJXDOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2S/c15-12-7-6-11(16)8-14(12)21(19,20)18-9-13(17)10-4-2-1-3-5-10/h1-8,13,18H,9,17H2.
What are the key properties of N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide?
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide has a molecular weight of 328.80 g/mol, XLogP of 2.46, 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-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide is sourced from PubChem (CID 75431000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).