4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

C17H21FN2O3S2 — CID 16933168

IUPAC4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C17H21FN2O3S2/c1-13-10-15(18)2-3-17(13)25(21,22)19-11-16(14-4-9-24-12-14)20-5-7-23-8-6-20/h2-4,9-10,12,16,19H,5-8,11H2,1H3
InChIKeyUXKSJMBUKXFHLJ-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.55
Rot. Bonds6

About 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide

4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 16933168) has the molecular formula C17H21FN2O3S2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID16933168
Molecular FormulaC17H21FN2O3S2
Molecular Weight384.50 g/mol
Exact Mass384.10
IUPAC Name4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C17H21FN2O3S2/c1-13-10-15(18)2-3-17(13)25(21,22)19-11-16(14-4-9-24-12-14)20-5-7-23-8-6-20/h2-4,9-10,12,16,19H,5-8,11H2,1H3
InChIKeyUXKSJMBUKXFHLJ-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(Morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033682
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
N-(3-morpholin-4-ylpropyl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3242576
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 5310439
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
4-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 12006138
N1-(4-fluorobenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18561603
N1-(2-fluorobenzyl)-N2-((3-(thiophen-2-ylsulfonyl)-1,3-oxazinan-2-yl)methyl)oxalamide
CID 18562515
N1-((3-((4-fluoro-3-methylphenyl)sulfonyl)-1,3-oxazinan-2-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 18562594
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
CID 24980923
N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-4-fluorobenzenesulfonamide
CID 5310550

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide (CID 16933168) is 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC(c1ccsc1)N1CCOCC1.
What is the InChIKey of 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is UXKSJMBUKXFHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S2/c1-13-10-15(18)2-3-17(13)25(21,22)19-11-16(14-4-9-24-12-14)20-5-7-23-8-6-20/h2-4,9-10,12,16,19H,5-8,11H2,1H3.
What are the key properties of 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide?
4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 16933168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).