N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

C18H20ClF2N3O3S — CID 119465816

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)C2CC2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2N3O3S.ClH/c19-16-5-4-11(8-17(16)20)14-10-15(14)18(24)23-12-2-1-3-13(9-12)27(25,26)22-7-6-21;/h1-5,8-9,14-15,22H,6-7,10,21H2,(H,23,24);1H
InChIKeyLXMHQMFIRHDHJT-UHFFFAOYSA-N
MW431.89 g/mol
LogP2.37
Rot. Bonds7

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119465816) has the molecular formula C18H20ClF2N3O3S and a molecular weight of 431.89 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID119465816
Molecular FormulaC18H20ClF2N3O3S
Molecular Weight431.89 g/mol
Exact Mass431.09
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NCCNS(=O)(=O)c1cccc(NC(=O)C2CC2c2ccc(F)c(F)c2)c1
InChIInChI=1S/C18H19F2N3O3S.ClH/c19-16-5-4-11(8-17(16)20)14-10-15(14)18(24)23-12-2-1-3-13(9-12)27(25,26)22-7-6-21;/h1-5,8-9,14-15,22H,6-7,10,21H2,(H,23,24);1H
InChIKeyLXMHQMFIRHDHJT-UHFFFAOYSA-N
XLogP2.37
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.89
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119466084
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465724
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119465831
N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
CID 119465253
2-(4-fluorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 55476541
N-[3-(tert-butylsulfamoyl)phenyl]-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 51295136
(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119465982
N-(2-aminoethyl)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]benzamide;hydrochloride
CID 120603955
cis-(1S,2R)-N-[3-(carbamoylamino)phenyl]-2-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 95979513
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
2-(furan-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 86852545

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride (CID 119465816) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is Cl.NCCNS(=O)(=O)c1cccc(NC(=O)C2CC2c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is LXMHQMFIRHDHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O3S.ClH/c19-16-5-4-11(8-17(16)20)14-10-15(14)18(24)23-12-2-1-3-13(9-12)27(25,26)22-7-6-21;/h1-5,8-9,14-15,22H,6-7,10,21H2,(H,23,24);1H.
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 431.89 g/mol, XLogP of 2.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119465816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).