4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C14H20FNO3S — CID 81435842

IUPAC4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CC2C)cc(CO)c1F
InChIInChI=1S/C14H20FNO3S/c1-9-4-11(9)7-16(3)20(18,19)13-5-10(2)14(15)12(6-13)8-17/h5-6,9,11,17H,4,7-8H2,1-3H3
InChIKeyRADCYAKPDQQJSO-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.90
Rot. Bonds5

About 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 81435842) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID81435842
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CC2CC2C)cc(CO)c1F
InChIInChI=1S/C14H20FNO3S/c1-9-4-11(9)7-16(3)20(18,19)13-5-10(2)14(15)12(6-13)8-17/h5-6,9,11,17H,4,7-8H2,1-3H3
InChIKeyRADCYAKPDQQJSO-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 81435842) is 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CC2CC2C)cc(CO)c1F.
What is the InChIKey of 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is RADCYAKPDQQJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-9-4-11(9)7-16(3)20(18,19)13-5-10(2)14(15)12(6-13)8-17/h5-6,9,11,17H,4,7-8H2,1-3H3.
What are the key properties of 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 81435842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).