N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide

C14H21FN2O3S — CID 106013834

IUPACN-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(F)c(CO)c1)N(C)C1CC1
InChIInChI=1S/C14H21FN2O3S/c1-10(17(2)12-3-4-12)8-16-21(19,20)13-5-6-14(15)11(7-13)9-18/h5-7,10,12,16,18H,3-4,8-9H2,1-2H3
InChIKeyFSPWMWILSRCRIG-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.08
Rot. Bonds7

About N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide

N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide (PubChem CID 106013834) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
PubChem CID106013834
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC NameN-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(F)c(CO)c1)N(C)C1CC1
InChIInChI=1S/C14H21FN2O3S/c1-10(17(2)12-3-4-12)8-16-21(19,20)13-5-6-14(15)11(7-13)9-18/h5-7,10,12,16,18H,3-4,8-9H2,1-2H3
InChIKeyFSPWMWILSRCRIG-UHFFFAOYSA-N
XLogP1.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147125
3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 63288638
4-fluoro-3-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132220
N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106094104
2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide
CID 106013854
3-(ethylaminomethyl)-4-fluoro-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 106077953
4-fluoro-3-(hydroxymethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 106022558
4-fluoro-3-(hydroxymethyl)-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106014466
4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701544
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022413
N-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 103908329

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide (CID 106013834) is N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(F)c(CO)c1)N(C)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The InChIKey is FSPWMWILSRCRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-10(17(2)12-3-4-12)8-16-21(19,20)13-5-6-14(15)11(7-13)9-18/h5-7,10,12,16,18H,3-4,8-9H2,1-2H3.
What are the key properties of N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106013834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).