N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide

C11H16FNO2S — CID 61362465

IUPACN-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-9(2)16(14,15)13(3)8-10-4-6-11(12)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeySQOIIBNHPRQBCO-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.00
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide

N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide (PubChem CID 61362465) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide
PubChem CID61362465
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide
SMILESCC(C)S(=O)(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H16FNO2S/c1-9(2)16(14,15)13(3)8-10-4-6-11(12)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeySQOIIBNHPRQBCO-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-N-methylpropane-2-sulfonamide
CID 61043511
4-fluoro-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26027770
3-[4-[[methyl(propan-2-ylsulfonyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76906223
N-[[4-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 60923004
1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
CID 43576201
N-[(4-fluorophenyl)methyl]-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49237408
N-[(4-fluorophenyl)methyl]-N-methyl-4-(methylamino)benzenesulfonamide
CID 61413510
N-[(4-fluorophenyl)methyl]-N-methylpiperazine-1-sulfonamide
CID 54979213
N-[(4-fluorophenyl)methyl]-N,5-dimethylthiophene-2-sulfonamide
CID 47109851
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 47103944
2-[(4-hydroxyphenyl)methyl-methylsulfamoyl]propanoic acid
CID 54947444

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide (CID 61362465) is N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide is CC(C)S(=O)(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide?
The InChIKey is SQOIIBNHPRQBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-9(2)16(14,15)13(3)8-10-4-6-11(12)7-5-10/h4-7,9H,8H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide?
N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide has a molecular weight of 245.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methylpropane-2-sulfonamide is sourced from PubChem (CID 61362465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).