N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide

C9H12ClFN2O2S — CID 62686438

IUPACN-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C9H12ClFN2O2S/c1-13(5-4-12)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,12H2,1H3
InChIKeyUMIOYDNRZOBQTA-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.06
Rot. Bonds4

About N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide

N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 62686438) has the molecular formula C9H12ClFN2O2S and a molecular weight of 266.72 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
PubChem CID62686438
Molecular FormulaC9H12ClFN2O2S
Molecular Weight266.72 g/mol
Exact Mass266.03
IUPAC NameN-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(CCN)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C9H12ClFN2O2S/c1-13(5-4-12)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,12H2,1H3
InChIKeyUMIOYDNRZOBQTA-UHFFFAOYSA-N
XLogP1.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387779
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 62685889
N-(3-aminopropyl)-2,3,4-trifluoro-N-methylbenzenesulfonamide
CID 115319073
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
4-chloro-2-fluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 47076190
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
4-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzenesulfonamide
CID 114951831
N-(3-aminopropyl)-4-chloro-N-methyl-2-nitrobenzenesulfonamide
CID 115319044
2-[tert-butyl-(4-chloro-2-fluorophenyl)sulfonylamino]acetic acid
CID 79268453
N-(3-aminopropyl)-2,4-dichloro-3-fluoro-N-methylbenzenesulfonamide
CID 103089181
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide (CID 62686438) is N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide is CN(CCN)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is UMIOYDNRZOBQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2S/c1-13(5-4-12)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6H,4-5,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide?
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 266.72 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 62686438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).