1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide

C12H18FNO3S — CID 43574734

IUPAC1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-10(2)14(7-8-15)18(16,17)9-11-3-5-12(13)6-4-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyGNFCPWGNXWOSJA-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.36
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide

1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (PubChem CID 43574734) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
PubChem CID43574734
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-10(2)14(7-8-15)18(16,17)9-11-3-5-12(13)6-4-11/h3-6,10,15H,7-9H2,1-2H3
InChIKeyGNFCPWGNXWOSJA-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzylsulfonyl(propan-2-yl)amino]butanoic acid
CID 60829438
3-[ethyl-[(4-fluorophenyl)methylsulfonyl]amino]-2-methylpropanoic acid
CID 62826691
1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
CID 61125836
2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(4-nitrophenyl)methanesulfonamide
CID 55913663
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylmethanesulfonamide
CID 110663722
1-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]ethanol
CID 103834665
1-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylmethanesulfonamide
CID 54999330
1-[4-(aminomethyl)phenyl]-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)methanesulfonamide
CID 107479114
(4-fluorophenyl)methyl-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 151287541
1-(4-cyanophenyl)-N-ethyl-N-propan-2-ylmethanesulfonamide
CID 43265953

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide (CID 43574734) is 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide is CC(C)N(CCO)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
The InChIKey is GNFCPWGNXWOSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-10(2)14(7-8-15)18(16,17)9-11-3-5-12(13)6-4-11/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide?
1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide has a molecular weight of 275.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylmethanesulfonamide is sourced from PubChem (CID 43574734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).