3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide

C12H17FN2O3S — CID 64641542

IUPAC3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-8(7-19(3,17)18)15-12(16)9-5-4-6-10(13)11(9)14-2/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyNYWMWYDMJVZNDV-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.03
Rot. Bonds5

About 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide

3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide (PubChem CID 64641542) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
PubChem CID64641542
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
SMILESCNc1c(F)cccc1C(=O)NC(C)CS(C)(=O)=O
InChIInChI=1S/C12H17FN2O3S/c1-8(7-19(3,17)18)15-12(16)9-5-4-6-10(13)11(9)14-2/h4-6,8,14H,7H2,1-3H3,(H,15,16)
InChIKeyNYWMWYDMJVZNDV-UHFFFAOYSA-N
XLogP1.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
3-amino-2-methyl-N-(1-methylsulfonylpropan-2-yl)benzamide
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3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)pyridine-4-carboxamide
CID 105386606
N-(dicyclopropylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662473
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027972
3-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)benzamide
CID 64604122
3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 79864806
3-fluoro-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62808855
3-amino-2,5-difluoro-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 107121140

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide (CID 64641542) is 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide is CNc1c(F)cccc1C(=O)NC(C)CS(C)(=O)=O.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide?
The InChIKey is NYWMWYDMJVZNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-8(7-19(3,17)18)15-12(16)9-5-4-6-10(13)11(9)14-2/h4-6,8,14H,7H2,1-3H3,(H,15,16).
What are the key properties of 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide?
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide has a molecular weight of 288.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide is sourced from PubChem (CID 64641542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).