5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane

C16H21ClFNO4S — CID 118293167

IUPAC5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane
SMILESC.CC1(C)C(COc2cc(F)c(C(=O)N=S(=O)=O)cc2Cl)C1(C)C
InChIInChI=1S/C15H17ClFNO4S.CH4/c1-14(2)12(15(14,3)4)7-22-11-6-10(17)8(5-9(11)16)13(19)18-23(20)21;/h5-6,12H,7H2,1-4H3;1H4
InChIKeyYOEQMGHLMXEDES-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.38
Rot. Bonds4

About 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane

5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane (PubChem CID 118293167) has the molecular formula C16H21ClFNO4S and a molecular weight of 377.87 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane
PubChem CID118293167
Molecular FormulaC16H21ClFNO4S
Molecular Weight377.87 g/mol
Exact Mass377.09
IUPAC Name5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane
SMILESC.CC1(C)C(COc2cc(F)c(C(=O)N=S(=O)=O)cc2Cl)C1(C)C
InChIInChI=1S/C15H17ClFNO4S.CH4/c1-14(2)12(15(14,3)4)7-22-11-6-10(17)8(5-9(11)16)13(19)18-23(20)21;/h5-6,12H,7H2,1-4H3;1H4
InChIKeyYOEQMGHLMXEDES-UHFFFAOYSA-N
XLogP4.38
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide
CID 122601326
4-(6-bicyclo[3.1.0]hexanylmethoxy)-5-chloro-2-fluorobenzoic acid
CID 140665983
tert-butyl 4-[[4,4-bis(fluoromethyl)cyclohexyl]methoxy]-5-chloro-2-fluorobenzoate
CID 90016248
tert-butyl 5-chloro-2-fluoro-4-[(2-methylcyclohexyl)methoxy]benzoate
CID 86703745
tert-butyl 3-[[2-chloro-5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]methyl]azetidine-1-carboxylate
CID 118110910
tert-butyl 5-chloro-2-fluoro-4-(piperidin-3-ylmethoxy)benzoate
CID 174800043
4-(1-adamantylmethoxy)-5-chloro-2-fluorobenzoic acid
CID 86702859
5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide
CID 171343351
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
5-chloro-N-(dimethylsulfamoyl)-2-fluoro-4-(spiro[3.5]nonan-7-ylmethoxy)benzamide
CID 86702851
1-[5-chloro-4-[(3-chloro-1-adamantyl)methoxy]-2-fluorophenyl]ethanone
CID 123816292
tert-butyl 4-[(1-benzylpiperidin-4-yl)methoxy]-5-chloro-2-fluorobenzoate
CID 118110654

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane?
The IUPAC name of 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane (CID 118293167) is 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane.
What is the SMILES notation for 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane?
The canonical SMILES for 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane is C.CC1(C)C(COc2cc(F)c(C(=O)N=S(=O)=O)cc2Cl)C1(C)C.
What is the InChIKey of 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane?
The InChIKey is YOEQMGHLMXEDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO4S.CH4/c1-14(2)12(15(14,3)4)7-22-11-6-10(17)8(5-9(11)16)13(19)18-23(20)21;/h5-6,12H,7H2,1-4H3;1H4.
What are the key properties of 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane?
5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane has a molecular weight of 377.87 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-sulfonyl-4-[(2,2,3,3-tetramethylcyclopropyl)methoxy]benzamide;methane is sourced from PubChem (CID 118293167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).