2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide

C8H10ClFN2O2S — CID 61472414

IUPAC2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2O2S/c9-6-1-2-8(7(10)5-6)12-15(13,14)4-3-11/h1-2,5,12H,3-4,11H2
InChIKeySGZLAUPGGKICGY-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.18
Rot. Bonds4

About 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide

2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide (PubChem CID 61472414) has the molecular formula C8H10ClFN2O2S and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
PubChem CID61472414
Molecular FormulaC8H10ClFN2O2S
Molecular Weight252.70 g/mol
Exact Mass252.01
IUPAC Name2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
SMILESNCCS(=O)(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2O2S/c9-6-1-2-8(7(10)5-6)12-15(13,14)4-3-11/h1-2,5,12H,3-4,11H2
InChIKeySGZLAUPGGKICGY-UHFFFAOYSA-N
XLogP1.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
sodium N-(4-chloro-2-fluorophenyl)sulfamate
CID 23674123
3-amino-N-(2-bromo-4-chlorophenyl)propane-1-sulfonamide
CID 81263929
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]ethanesulfonamide
CID 63037026
4-chloro-N-(5-chloro-2-fluorophenyl)butane-1-sulfonamide
CID 116815061
2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
CID 16783174
2-amino-N-(2-chloro-4-methoxyphenyl)ethanesulfonamide
CID 96680450
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
N-(3-amino-2-chloro-4-fluorophenyl)-3-fluoropropane-1-sulfonamide
CID 67042982
1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
CID 67318256
4-chloro-N-(2,4-difluorophenyl)butane-1-sulfonamide
CID 116815122
N-(2-fluoro-4-hydroxyphenyl)-2-methylsulfonylethanesulfonamide
CID 64787480

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide (CID 61472414) is 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide is NCCS(=O)(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide?
The InChIKey is SGZLAUPGGKICGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O2S/c9-6-1-2-8(7(10)5-6)12-15(13,14)4-3-11/h1-2,5,12H,3-4,11H2.
What are the key properties of 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide?
2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide has a molecular weight of 252.70 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 61472414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).