N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide

C14H23FN2O3S — CID 81427216

IUPACN-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCN(C)C)cc(CO)c1F
InChIInChI=1S/C14H23FN2O3S/c1-11-8-13(9-12(10-18)14(11)15)21(19,20)17(4)7-5-6-16(2)3/h8-9,18H,5-7,10H2,1-4H3
InChIKeyRNPWASUOEBIBHT-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.20
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide

N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide (PubChem CID 81427216) has the molecular formula C14H23FN2O3S and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
PubChem CID81427216
Molecular FormulaC14H23FN2O3S
Molecular Weight318.41 g/mol
Exact Mass318.14
IUPAC NameN-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)CCCN(C)C)cc(CO)c1F
InChIInChI=1S/C14H23FN2O3S/c1-11-8-13(9-12(10-18)14(11)15)21(19,20)17(4)7-5-6-16(2)3/h8-9,18H,5-7,10H2,1-4H3
InChIKeyRNPWASUOEBIBHT-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide (CID 81427216) is N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)CCCN(C)C)cc(CO)c1F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide?
The InChIKey is RNPWASUOEBIBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O3S/c1-11-8-13(9-12(10-18)14(11)15)21(19,20)17(4)7-5-6-16(2)3/h8-9,18H,5-7,10H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide?
N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide has a molecular weight of 318.41 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 81427216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).