1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide

C15H19FN2O2S — CID 167754796

IUPAC1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)Cc1ccc(F)cc1C#N
InChIInChI=1S/C15H19FN2O2S/c1-11(2)18(9-12-3-4-12)21(19,20)10-13-5-6-15(16)7-14(13)8-17/h5-7,11-12H,3-4,9-10H2,1-2H3
InChIKeyZOYQEVNFQNGDSH-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.65
Rot. Bonds6

About 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide

1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 167754796) has the molecular formula C15H19FN2O2S and a molecular weight of 310.39 g/mol. Its IUPAC name is 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID167754796
Molecular FormulaC15H19FN2O2S
Molecular Weight310.39 g/mol
Exact Mass310.12
IUPAC Name1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)Cc1ccc(F)cc1C#N
InChIInChI=1S/C15H19FN2O2S/c1-11(2)18(9-12-3-4-12)21(19,20)10-13-5-6-15(16)7-14(13)8-17/h5-7,11-12H,3-4,9-10H2,1-2H3
InChIKeyZOYQEVNFQNGDSH-UHFFFAOYSA-N
XLogP2.65
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyano-4-fluorophenyl)methylsulfonyl-propan-2-ylamino]acetic acid
CID 122072208
5-fluoro-2-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716523
5-fluoro-2-[(2-oxo-1-propan-2-ylpyrrolidin-3-yl)sulfanylmethyl]benzonitrile
CID 71864575
4-[(2-cyano-4-fluorophenyl)methylsulfonylamino]cyclohexane-1-carboxylic acid
CID 122071103
(2R)-1-[(2-cyano-4-fluorophenyl)methylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122069693
N-(cyclopropylmethyl)-N-propan-2-ylethanesulfonamide
CID 63738150
2-[cyclopropylmethyl-[(4-fluoro-2-methylphenyl)methylsulfonyl]amino]acetic acid
CID 167969467
(2S,3S)-2-[(2-cyano-4-fluorophenyl)methylsulfonylamino]-3-methylpentanoic acid
CID 122069883
5-fluoro-2-[(4-formylpiperidin-1-yl)methyl]benzonitrile
CID 55170778
3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-fluorobenzonitrile
CID 103912415
5-fluoro-2-[methyl(oxan-4-ylmethyl)amino]benzonitrile
CID 63707524
4-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 54948852

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide (CID 167754796) is 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CC1CC1)S(=O)(=O)Cc1ccc(F)cc1C#N.
What is the InChIKey of 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is ZOYQEVNFQNGDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2S/c1-11(2)18(9-12-3-4-12)21(19,20)10-13-5-6-15(16)7-14(13)8-17/h5-7,11-12H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide?
1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 310.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-4-fluorophenyl)-N-(cyclopropylmethyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 167754796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).