4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide

C18H21ClFN3O3S — CID 42907160

IUPAC4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC(c2cccc(F)c2)N(C)C)ccc1Cl
InChIInChI=1S/C18H21ClFN3O3S/c1-21-27(25,26)17-10-13(7-8-15(17)19)18(24)22-11-16(23(2)3)12-5-4-6-14(20)9-12/h4-10,16,21H,11H2,1-3H3,(H,22,24)
InChIKeyURXXOOMUECZFLP-UHFFFAOYSA-N
MW413.90 g/mol
LogP2.42
Rot. Bonds7

About 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide

4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide (PubChem CID 42907160) has the molecular formula C18H21ClFN3O3S and a molecular weight of 413.90 g/mol. Its IUPAC name is 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide
PubChem CID42907160
Molecular FormulaC18H21ClFN3O3S
Molecular Weight413.90 g/mol
Exact Mass413.10
IUPAC Name4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCC(c2cccc(F)c2)N(C)C)ccc1Cl
InChIInChI=1S/C18H21ClFN3O3S/c1-21-27(25,26)17-10-13(7-8-15(17)19)18(24)22-11-16(23(2)3)12-5-4-6-14(20)9-12/h4-10,16,21H,11H2,1-3H3,(H,22,24)
InChIKeyURXXOOMUECZFLP-UHFFFAOYSA-N
XLogP2.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 51186635
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
3-(cyclopropylsulfamoyl)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525933
3-(cyclopropylsulfamoyl)-N-[(2R)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methoxybenzamide
CID 30525938
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
3-(cyclopropylsulfamoyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzamide
CID 55358618
4-chloro-N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536278
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
N-[3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 43044965
6-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 46522593
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide (CID 42907160) is 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCC(c2cccc(F)c2)N(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide?
The InChIKey is URXXOOMUECZFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O3S/c1-21-27(25,26)17-10-13(7-8-15(17)19)18(24)22-11-16(23(2)3)12-5-4-6-14(20)9-12/h4-10,16,21H,11H2,1-3H3,(H,22,24).
What are the key properties of 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide?
4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide has a molecular weight of 413.90 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 42907160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).