4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

C18H23FN2O3S2 — CID 4290332

IUPAC4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C18H23FN2O3S2/c19-16-4-6-18(7-5-16)26(22,23)21(15-17-3-1-14-25-17)9-2-8-20-10-12-24-13-11-20/h1,3-7,14H,2,8-13,15H2
InChIKeyNOKANQIWQJRGGW-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.80
Rot. Bonds8

About 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 4290332) has the molecular formula C18H23FN2O3S2 and a molecular weight of 398.53 g/mol. Its IUPAC name is 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID4290332
Molecular FormulaC18H23FN2O3S2
Molecular Weight398.53 g/mol
Exact Mass398.11
IUPAC Name4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cccs1
InChIInChI=1S/C18H23FN2O3S2/c19-16-4-6-18(7-5-16)26(22,23)21(15-17-3-1-14-25-17)9-2-8-20-10-12-24-13-11-20/h1,3-7,14H,2,8-13,15H2
InChIKeyNOKANQIWQJRGGW-UHFFFAOYSA-N
XLogP2.80
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 4290332) is 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cccs1.
What is the InChIKey of 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is NOKANQIWQJRGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3S2/c19-16-4-6-18(7-5-16)26(22,23)21(15-17-3-1-14-25-17)9-2-8-20-10-12-24-13-11-20/h1,3-7,14H,2,8-13,15H2.
What are the key properties of 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 4290332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).