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

C14H20FNO3S — CID 79186883

IUPACN-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H20FNO3S/c1-2-3-8-16(12-5-6-12)20(18,19)14-7-4-11(10-17)9-13(14)15/h4,7,9,12,17H,2-3,5-6,8,10H2,1H3
InChIKeyYXMKBFMIKSZBMN-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.27
Rot. Bonds7

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

N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide (PubChem CID 79186883) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
PubChem CID79186883
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide
SMILESCCCCN(C1CC1)S(=O)(=O)c1ccc(CO)cc1F
InChIInChI=1S/C14H20FNO3S/c1-2-3-8-16(12-5-6-12)20(18,19)14-7-4-11(10-17)9-13(14)15/h4,7,9,12,17H,2-3,5-6,8,10H2,1H3
InChIKeyYXMKBFMIKSZBMN-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide (CID 79186883) is N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide is CCCCN(C1CC1)S(=O)(=O)c1ccc(CO)cc1F.
What is the InChIKey of N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide?
The InChIKey is YXMKBFMIKSZBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-2-3-8-16(12-5-6-12)20(18,19)14-7-4-11(10-17)9-13(14)15/h4,7,9,12,17H,2-3,5-6,8,10H2,1H3.
What are the key properties of N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide?
N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclopropyl-2-fluoro-4-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 79186883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).