4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide

C17H20FNO3S — CID 100692263

IUPAC4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide
SMILESCc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H20FNO3S/c1-12-6-4-5-7-16(12)22-11-14(3)19-23(20,21)17-9-8-15(18)10-13(17)2/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyYNNRUATUBOQRRO-CQSZACIVSA-N
MW337.42 g/mol
LogP3.19
Rot. Bonds6

About 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide

4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide (PubChem CID 100692263) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide
PubChem CID100692263
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide
SMILESCc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C
InChIInChI=1S/C17H20FNO3S/c1-12-6-4-5-7-16(12)22-11-14(3)19-23(20,21)17-9-8-15(18)10-13(17)2/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1
InChIKeyYNNRUATUBOQRRO-CQSZACIVSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]naphthalene-2-sulfonamide
CID 100759720
3-[(4-fluoro-2-methylphenyl)sulfonylamino]butanethioamide
CID 62093527
N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 121021353
3-methyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100720711
4-fluoro-2-methyl-N-(3-oxopentan-2-yl)benzenesulfonamide
CID 64994107
N-(1-chloro-4-methylpentan-3-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 106356414
4-fluoro-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzenesulfonamide
CID 100691319
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
N-(4-chlorobutan-2-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 83178892
4-fluoro-N-[(2S)-1-hydroxybutan-2-yl]-2-methylbenzenesulfonamide
CID 93084017
2,5-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzenesulfonamide
CID 95119287
4-fluoro-2-methyl-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609122

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide (CID 100692263) is 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide is Cc1ccccc1OC[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide?
The InChIKey is YNNRUATUBOQRRO-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-12-6-4-5-7-16(12)22-11-14(3)19-23(20,21)17-9-8-15(18)10-13(17)2/h4-10,14,19H,11H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 100692263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).