N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide

C19H23ClFN3O3S — CID 25478911

IUPACN-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1
InChIInChI=1S/C19H23ClFN3O3S/c1-4-23-28(26,27)14-10-8-13(9-11-14)19(25)22-12-17(24(2)3)18-15(20)6-5-7-16(18)21/h5-11,17,23H,4,12H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyXZAQOFWKJFIAHP-KRWDZBQOSA-N
MW427.93 g/mol
LogP2.81
Rot. Bonds8

About N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide

N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide (PubChem CID 25478911) has the molecular formula C19H23ClFN3O3S and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
PubChem CID25478911
Molecular FormulaC19H23ClFN3O3S
Molecular Weight427.93 g/mol
Exact Mass427.11
IUPAC NameN-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1
InChIInChI=1S/C19H23ClFN3O3S/c1-4-23-28(26,27)14-10-8-13(9-11-14)19(25)22-12-17(24(2)3)18-15(20)6-5-7-16(18)21/h5-11,17,23H,4,12H2,1-3H3,(H,22,25)/t17-/m0/s1
InChIKeyXZAQOFWKJFIAHP-KRWDZBQOSA-N
XLogP2.81
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 24674869
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342508
N-[2-(diethylamino)propyl]-4-(ethylsulfamoyl)benzamide
CID 46432829
N-[2-(dimethylamino)-2-phenylethyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 51297941
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 40891158
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(ethylsulfamoyl)benzamide
CID 55861005
4-(ethylsulfamoyl)-N-(3-methyl-2-phenylbutyl)benzamide
CID 46441337
N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 51530814
4-(ethylsulfamoyl)-N-[3-(2-fluorophenoxy)propyl]benzamide
CID 42572042
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746
4-(ethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51160983
2-[[4-(ethylsulfamoyl)benzoyl]amino]acetic acid
CID 16768249

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide?
The IUPAC name of N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide (CID 25478911) is N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide is CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide?
The InChIKey is XZAQOFWKJFIAHP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23ClFN3O3S/c1-4-23-28(26,27)14-10-8-13(9-11-14)19(25)22-12-17(24(2)3)18-15(20)6-5-7-16(18)21/h5-11,17,23H,4,12H2,1-3H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide?
N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide has a molecular weight of 427.93 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)ethyl]-4-(ethylsulfamoyl)benzamide is sourced from PubChem (CID 25478911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).