N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide

C17H17ClFNO3S — CID 18082505

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFNO3S/c1-11-7-8-12(24(3,22)23)9-13(11)17(21)20(2)10-14-15(18)5-4-6-16(14)19/h4-9H,10H2,1-3H3
InChIKeyFPGXRVBLMVGONM-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.46
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide (PubChem CID 18082505) has the molecular formula C17H17ClFNO3S and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
PubChem CID18082505
Molecular FormulaC17H17ClFNO3S
Molecular Weight369.85 g/mol
Exact Mass369.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C17H17ClFNO3S/c1-11-7-8-12(24(3,22)23)9-13(11)17(21)20(2)10-14-15(18)5-4-6-16(14)19/h4-9H,10H2,1-3H3
InChIKeyFPGXRVBLMVGONM-UHFFFAOYSA-N
XLogP3.46
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide (CID 18082505) is N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide?
The InChIKey is FPGXRVBLMVGONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3S/c1-11-7-8-12(24(3,22)23)9-13(11)17(21)20(2)10-14-15(18)5-4-6-16(14)19/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide has a molecular weight of 369.85 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 18082505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).