1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol

C12H18FNO3S — CID 115477152

IUPAC1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO3S/c1-9(2)14-7-11(15)8-18(16,17)12-5-3-4-10(13)6-12/h3-6,9,11,14-15H,7-8H2,1-2H3
InChIKeySYNGCGOZSFPGQN-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.96
Rot. Bonds6

About 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol

1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 115477152) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID115477152
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO3S/c1-9(2)14-7-11(15)8-18(16,17)12-5-3-4-10(13)6-12/h3-6,9,11,14-15H,7-8H2,1-2H3
InChIKeySYNGCGOZSFPGQN-UHFFFAOYSA-N
XLogP0.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-3-(propan-2-ylamino)propan-2-ol
CID 113317915
3-(3-fluorophenyl)sulfonylpropane-1,2-diol
CID 111969337
1-(4-aminophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 172553861
1-(3-fluorophenyl)-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]propan-1-one
CID 57109487
1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
CID 79022604
1-(3-fluorophenyl)sulfonyl-3-methoxy-3-methylbutan-2-ol
CID 114228872
3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
6-(3-fluorophenyl)sulfonylhexan-2-ol
CID 106585275
1-(2-bromophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 113317935
1-(3-bromophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476729
1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476603
3,3,3-trifluoro-2-[(3-fluorophenyl)sulfonylmethyl]propanoic acid
CID 80996727

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol (CID 115477152) is 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is SYNGCGOZSFPGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-9(2)14-7-11(15)8-18(16,17)12-5-3-4-10(13)6-12/h3-6,9,11,14-15H,7-8H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol?
1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 275.34 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 115477152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).