(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide

C15H22FNO2S — CID 97095665

IUPAC(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide
SMILESCC[C@@H](C)CS(=O)(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H22FNO2S/c1-3-12(2)11-20(18,19)17(14-8-9-14)10-13-6-4-5-7-15(13)16/h4-7,12,14H,3,8-11H2,1-2H3/t12-/m1/s1
InChIKeyQSIASYRAWDCRJA-GFCCVEGCSA-N
MW299.41 g/mol
LogP3.17
Rot. Bonds7

About (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide

(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide (PubChem CID 97095665) has the molecular formula C15H22FNO2S and a molecular weight of 299.41 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide
PubChem CID97095665
Molecular FormulaC15H22FNO2S
Molecular Weight299.41 g/mol
Exact Mass299.14
IUPAC Name(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide
SMILESCC[C@@H](C)CS(=O)(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C15H22FNO2S/c1-3-12(2)11-20(18,19)17(14-8-9-14)10-13-6-4-5-7-15(13)16/h4-7,12,14H,3,8-11H2,1-2H3/t12-/m1/s1
InChIKeyQSIASYRAWDCRJA-GFCCVEGCSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanesulfonamide
CID 166242215
N-cyclopropyl-5-ethyl-N-[(2-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 55904602
N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 56582102
N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 96539492
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692045
(E)-2-(4-chlorophenyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]ethenesulfonamide
CID 27665668
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 65229876
N-[[(2R)-butan-2-yl]carbamoyl]-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8978259
1-N-benzyl-4-N-cyclopentyl-1-N-ethyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 3189960
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide (CID 97095665) is (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide is CC[C@@H](C)CS(=O)(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide?
The InChIKey is QSIASYRAWDCRJA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22FNO2S/c1-3-12(2)11-20(18,19)17(14-8-9-14)10-13-6-4-5-7-15(13)16/h4-7,12,14H,3,8-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide?
(2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide has a molecular weight of 299.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-methylbutane-1-sulfonamide is sourced from PubChem (CID 97095665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).