4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide

C13H19FN2O3S — CID 63862642

IUPAC4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-9-7-10(5-6-11(9)14)12(17)15-8-13(2,3)16-20(4,18)19/h5-7,16H,8H2,1-4H3,(H,15,17)
InChIKeyPKBXAMRIRPSHCX-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.19
Rot. Bonds5

About 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide

4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide (PubChem CID 63862642) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide
PubChem CID63862642
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc1F
InChIInChI=1S/C13H19FN2O3S/c1-9-7-10(5-6-11(9)14)12(17)15-8-13(2,3)16-20(4,18)19/h5-7,16H,8H2,1-4H3,(H,15,17)
InChIKeyPKBXAMRIRPSHCX-UHFFFAOYSA-N
XLogP1.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trifluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63862461
2-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-4-carboxamide
CID 63862460
3-chloro-4-iodo-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103736181
N-[2-(aminomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 106250501
2-fluoro-4-hydroxy-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 103941340
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-3-methylbenzamide
CID 64991928
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491
4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 63866133
N-[2-(bromomethyl)-2-ethylbutyl]-4-fluoro-3-methylbenzamide
CID 114164719
4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
N-(3-chloro-2,2-dimethylpropyl)-3,4-difluorobenzamide
CID 115364677

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide (CID 63862642) is 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide is Cc1cc(C(=O)NCC(C)(C)NS(C)(=O)=O)ccc1F.
What is the InChIKey of 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide?
The InChIKey is PKBXAMRIRPSHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-9-7-10(5-6-11(9)14)12(17)15-8-13(2,3)16-20(4,18)19/h5-7,16H,8H2,1-4H3,(H,15,17).
What are the key properties of 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide?
4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide is sourced from PubChem (CID 63862642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).