2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide

C14H23FN2O3S — CID 106044181

IUPAC2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cc(CO)ccc1F
InChIInChI=1S/C14H23FN2O3S/c1-11(2)17(3)8-4-7-16-21(19,20)14-9-12(10-18)5-6-13(14)15/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3
InChIKeyIQGJFKJLCMDLGM-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.33
Rot. Bonds8

About 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide

2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide (PubChem CID 106044181) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
PubChem CID106044181
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC Name2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cc(CO)ccc1F
InChIInChI=1S/C14H23FN2O3S/c1-11(2)17(3)8-4-7-16-21(19,20)14-9-12(10-18)5-6-13(14)15/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3
InChIKeyIQGJFKJLCMDLGM-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132457
2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide
CID 106044189
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034479
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908
N-(4-bromopentyl)-2,5-difluorobenzenesulfonamide
CID 106135621
[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
CID 106045460
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057
N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 106001370
5-cyano-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106035216
N-cyclopropyl-2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 79014588
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide
CID 106001804
N-(2-ethoxyethyl)-2-fluoro-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81074458

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide (CID 106044181) is 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide is CC(C)N(C)CCCNS(=O)(=O)c1cc(CO)ccc1F.
What is the InChIKey of 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
The InChIKey is IQGJFKJLCMDLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-11(2)17(3)8-4-7-16-21(19,20)14-9-12(10-18)5-6-13(14)15/h5-6,9,11,16,18H,4,7-8,10H2,1-3H3.
What are the key properties of 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide?
2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide is sourced from PubChem (CID 106044181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).