3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine

C11H16FNO2S — CID 117036265

IUPAC3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1S(=O)(=O)CC(C)CN
InChIInChI=1S/C11H16FNO2S/c1-8(6-13)7-16(14,15)11-4-3-10(12)5-9(11)2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyIPFDJPUWSOHXMH-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.50
Rot. Bonds4

About 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine

3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine (PubChem CID 117036265) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
PubChem CID117036265
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC Name3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
SMILESCc1cc(F)ccc1S(=O)(=O)CC(C)CN
InChIInChI=1S/C11H16FNO2S/c1-8(6-13)7-16(14,15)11-4-3-10(12)5-9(11)2/h3-5,8H,6-7,13H2,1-2H3
InChIKeyIPFDJPUWSOHXMH-UHFFFAOYSA-N
XLogP1.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220
3-(3,4-dimethylphenyl)sulfonyl-2-methylpropan-1-amine
CID 64697371
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
2-(3-bromo-2-methylpropyl)sulfonyl-1,4-difluorobenzene
CID 64995930
N-(2-amino-1-cyclopropylethyl)-4-fluoro-N,2-dimethylbenzenesulfonamide
CID 116652221
[1-(4-fluoro-2-methylphenyl)sulfonylcyclopropyl]methanamine
CID 117032293
methyl 4-fluoro-2-methylbenzenesulfonate
CID 117037987
N-(3-amino-2-methylpropyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzamide;hydrochloride
CID 119998287
2-(4-fluoro-2-methylphenyl)sulfanylpropan-1-amine
CID 82505973
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
N-(2-bromopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114295737

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine (CID 117036265) is 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine is Cc1cc(F)ccc1S(=O)(=O)CC(C)CN.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine?
The InChIKey is IPFDJPUWSOHXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-8(6-13)7-16(14,15)11-4-3-10(12)5-9(11)2/h3-5,8H,6-7,13H2,1-2H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine?
3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine is sourced from PubChem (CID 117036265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).