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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Related Compounds

4-[4-(Morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033682
N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3242576
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
4-(Phenylsulfonyl)-8-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577935
8-((2,5-Difluorophenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577940
4-(Piperidine-1-sulfonyl)-N-(tetrahydro-furan-2-ylmethyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 647891
4-fluoro-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 12006146
1-(4-fluorophenyl)-N-(2-morpholino-2-(thiophen-3-yl)ethyl)methanesulfonamide
CID 16933201
8-((4-Fluorophenyl)sulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577941
8-(Phenylsulfonyl)-4-(thiophen-2-ylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 18577942
4-(4-Morpholin-4-ylmethyl-benzenesulfonyl)-thiophene-2-sulfonic acid amide; hydrochloride
CID 10046686
4-Tert-butyl-N-[3-(morpholin-4-YL)propyl]-N-[(thiophen-2-YL)methyl]benzene-1-sulfonamide
CID 4547943

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).