N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride

C10H14Cl2FN3O3S — CID 119960027

IUPACN-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(F)c(S(=O)(=O)NCCN)cc1Cl.Cl
InChIInChI=1S/C10H13ClFN3O3S.ClH/c1-6(16)15-9-5-8(12)10(4-7(9)11)19(17,18)14-3-2-13;/h4-5,14H,2-3,13H2,1H3,(H,15,16);1H
InChIKeyIJXOAYHALQYTTK-UHFFFAOYSA-N
MW346.21 g/mol
LogP1.10
Rot. Bonds5

About N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride

N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride (PubChem CID 119960027) has the molecular formula C10H14Cl2FN3O3S and a molecular weight of 346.21 g/mol. Its IUPAC name is N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride
PubChem CID119960027
Molecular FormulaC10H14Cl2FN3O3S
Molecular Weight346.21 g/mol
Exact Mass345.01
IUPAC NameN-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cc(F)c(S(=O)(=O)NCCN)cc1Cl.Cl
InChIInChI=1S/C10H13ClFN3O3S.ClH/c1-6(16)15-9-5-8(12)10(4-7(9)11)19(17,18)14-3-2-13;/h4-5,14H,2-3,13H2,1H3,(H,15,16);1H
InChIKeyIJXOAYHALQYTTK-UHFFFAOYSA-N
XLogP1.10
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-2-chloro-5-fluorophenyl]acetamide
CID 119983105
N-[4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-chloro-5-fluorophenyl]acetamide;hydrochloride
CID 119963730
N-[5-(2-aminoethylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119960343
N-(2-aminoethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780565
N-(2-aminoethyl)-2-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86814122
N-[4-[[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-2-chloro-5-fluorophenyl]acetamide;hydrochloride
CID 120665641
N-[5-(3-aminopropylsulfamoyl)-2-fluorophenyl]acetamide;hydrochloride
CID 119962345
N-[2-chloro-5-fluoro-4-[(2-methylpiperidin-3-yl)sulfamoyl]phenyl]acetamide
CID 120726547
N-(3-aminobutyl)-4-bromo-5-chloro-2-fluorobenzenesulfonamide;hydrochloride
CID 120708578
N-[2-chloro-5-fluoro-4-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119990918
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
N-[5-(4-aminobutylsulfamoyl)-2-fluorophenyl]acetamide
CID 120583268

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride (CID 119960027) is N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride is CC(=O)Nc1cc(F)c(S(=O)(=O)NCCN)cc1Cl.Cl.
What is the InChIKey of N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride?
The InChIKey is IJXOAYHALQYTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O3S.ClH/c1-6(16)15-9-5-8(12)10(4-7(9)11)19(17,18)14-3-2-13;/h4-5,14H,2-3,13H2,1H3,(H,15,16);1H.
What are the key properties of N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride?
N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride has a molecular weight of 346.21 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethylsulfamoyl)-2-chloro-5-fluorophenyl]acetamide;hydrochloride is sourced from PubChem (CID 119960027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).