1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide

C11H15ClFNO3S — CID 75520048

IUPAC1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO3S/c1-8(15)6-14(2)18(16,17)7-9-5-10(12)3-4-11(9)13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyHOFNXGYAUUVKRS-UHFFFAOYSA-N
MW295.76 g/mol
LogP1.62
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide

1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide (PubChem CID 75520048) has the molecular formula C11H15ClFNO3S and a molecular weight of 295.76 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide
PubChem CID75520048
Molecular FormulaC11H15ClFNO3S
Molecular Weight295.76 g/mol
Exact Mass295.04
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide
SMILESCC(O)CN(C)S(=O)(=O)Cc1cc(Cl)ccc1F
InChIInChI=1S/C11H15ClFNO3S/c1-8(15)6-14(2)18(16,17)7-9-5-10(12)3-4-11(9)13/h3-5,8,15H,6-7H2,1-2H3
InChIKeyHOFNXGYAUUVKRS-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methylsulfonyl]-3-methylbutanoic acid
CID 103046661
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
3-[(5-chloro-2-fluorophenyl)methyl-methylamino]-2-methyl-3-oxopropanoic acid
CID 122066492
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
1-(5-chloro-2-fluorophenyl)-N-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]methanesulfonamide
CID 99718849
1-[(2,5-difluorophenyl)methylsulfonyl]propan-2-ol
CID 167861817
4-(5-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 103049449
3-(5-chloro-2-fluorophenyl)-2-methylpropanoic acid
CID 83402731
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
3-amino-4-fluoro-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 55061064
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782
2-fluoro-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 118740633

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide (CID 75520048) is 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide is CC(O)CN(C)S(=O)(=O)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide?
The InChIKey is HOFNXGYAUUVKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO3S/c1-8(15)6-14(2)18(16,17)7-9-5-10(12)3-4-11(9)13/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide?
1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide has a molecular weight of 295.76 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-(2-hydroxypropyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 75520048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).