N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide

C14H20FNO3S — CID 79187802

IUPACN-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H20FNO3S/c1-10(2)8-16(12-4-5-12)20(18,19)14-6-3-11(9-17)7-13(14)15/h3,6-7,10,12,17H,4-5,8-9H2,1-2H3
InChIKeyADUHUKGBDOWFIF-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.13
Rot. Bonds6

About N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide

N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 79187802) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID79187802
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C1CC1)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H20FNO3S/c1-10(2)8-16(12-4-5-12)20(18,19)14-6-3-11(9-17)7-13(14)15/h3,6-7,10,12,17H,4-5,8-9H2,1-2H3
InChIKeyADUHUKGBDOWFIF-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
CID 79186883
N-cyclopropyl-2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 79014588
2-fluoro-4-(hydroxymethyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 79187726
4-(aminomethyl)-N-cyclopropyl-N-ethyl-2-fluorobenzenesulfonamide
CID 79186964
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 79178367
N-(3,3-dimethylbutan-2-yl)-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79186955
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566
2-fluoro-4-(hydroxymethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79178570
2-amino-5-bromo-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 106491500
(4-cyclopropylsulfonyl-3-fluorophenyl)methanol
CID 84693412
2-amino-5-chloro-N-cyclopropyl-N-(2-methylpropyl)benzenesulfonamide
CID 61111608

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide (CID 79187802) is N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C1CC1)S(=O)(=O)c1ccc(CO)cc1F.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is ADUHUKGBDOWFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10(2)8-16(12-4-5-12)20(18,19)14-6-3-11(9-17)7-13(14)15/h3,6-7,10,12,17H,4-5,8-9H2,1-2H3.
What are the key properties of N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?
N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 79187802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).