N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide

C14H20FNO4S — CID 81427065

IUPACN-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cc(C)c(F)c(CO)c1
InChIInChI=1S/C14H20FNO4S/c1-10-7-13(8-11(9-17)14(10)15)21(18,19)16(5-6-20-2)12-3-4-12/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyNGEWTFPXUCGBTE-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.43
Rot. Bonds7

About N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide

N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide (PubChem CID 81427065) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide
PubChem CID81427065
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC NameN-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide
SMILESCOCCN(C1CC1)S(=O)(=O)c1cc(C)c(F)c(CO)c1
InChIInChI=1S/C14H20FNO4S/c1-10-7-13(8-11(9-17)14(10)15)21(18,19)16(5-6-20-2)12-3-4-12/h7-8,12,17H,3-6,9H2,1-2H3
InChIKeyNGEWTFPXUCGBTE-UHFFFAOYSA-N
XLogP1.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cyclopropyl-5-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 63322186
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluoro-5-methylbenzenesulfonamide
CID 81427943
N-(cyclopropylmethyl)-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
CID 81434987
N-(2-ethoxyethyl)-N-ethyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
CID 81427215
3-amino-N-cyclopropyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61109405
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 81435406
3-bromo-N-cyclopropyl-5-(hydroxymethyl)-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 81480450
5-[cyclopropyl(2-methoxyethyl)sulfamoyl]-2-fluorobenzenecarbothioamide
CID 63288473
N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
CID 81427216
N-cyclopentyl-4-fluoro-3-(hydroxymethyl)-5-methylbenzenesulfonamide
CID 81435941
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 81435842
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide (CID 81427065) is N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide is COCCN(C1CC1)S(=O)(=O)c1cc(C)c(F)c(CO)c1.
What is the InChIKey of N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide?
The InChIKey is NGEWTFPXUCGBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-10-7-13(8-11(9-17)14(10)15)21(18,19)16(5-6-20-2)12-3-4-12/h7-8,12,17H,3-6,9H2,1-2H3.
What are the key properties of N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide?
N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide has a molecular weight of 317.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-fluoro-3-(hydroxymethyl)-N-(2-methoxyethyl)-5-methylbenzenesulfonamide is sourced from PubChem (CID 81427065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).