N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide

C17H16FNO2S2 — CID 66907160

IUPACN-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCF)c1cc2ccccc2s1
InChIInChI=1S/C17H16FNO2S2/c18-11-6-12-19(23(20,21)15-8-2-1-3-9-15)17-13-14-7-4-5-10-16(14)22-17/h1-5,7-10,13H,6,11-12H2
InChIKeyJVOAYSPIGBPITA-UHFFFAOYSA-N
MW349.45 g/mol
LogP4.46
Rot. Bonds6

About N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide

N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide (PubChem CID 66907160) has the molecular formula C17H16FNO2S2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide
PubChem CID66907160
Molecular FormulaC17H16FNO2S2
Molecular Weight349.45 g/mol
Exact Mass349.06
IUPAC NameN-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCF)c1cc2ccccc2s1
InChIInChI=1S/C17H16FNO2S2/c18-11-6-12-19(23(20,21)15-8-2-1-3-9-15)17-13-14-7-4-5-10-16(14)22-17/h1-5,7-10,13H,6,11-12H2
InChIKeyJVOAYSPIGBPITA-UHFFFAOYSA-N
XLogP4.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide (CID 66907160) is N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCCF)c1cc2ccccc2s1.
What is the InChIKey of N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide?
The InChIKey is JVOAYSPIGBPITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S2/c18-11-6-12-19(23(20,21)15-8-2-1-3-9-15)17-13-14-7-4-5-10-16(14)22-17/h1-5,7-10,13H,6,11-12H2.
What are the key properties of N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide?
N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-N-(3-fluoropropyl)benzenesulfonamide is sourced from PubChem (CID 66907160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).