3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide

C17H21FN2O4S2 — CID 30606873

IUPAC3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1F
InChIInChI=1S/C17H21FN2O4S2/c1-23-17-3-2-14(10-15(17)18)26(21,22)19-11-16(13-4-9-25-12-13)20-5-7-24-8-6-20/h2-4,9-10,12,16,19H,5-8,11H2,1H3/t16-/m1/s1
InChIKeyPXTAKPDXUKXVRE-MRXNPFEDSA-N
MW400.50 g/mol
LogP2.25
Rot. Bonds7

About 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 30606873) has the molecular formula C17H21FN2O4S2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID30606873
Molecular FormulaC17H21FN2O4S2
Molecular Weight400.50 g/mol
Exact Mass400.09
IUPAC Name3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1F
InChIInChI=1S/C17H21FN2O4S2/c1-23-17-3-2-14(10-15(17)18)26(21,22)19-11-16(13-4-9-25-12-13)20-5-7-24-8-6-20/h2-4,9-10,12,16,19H,5-8,11H2,1H3/t16-/m1/s1
InChIKeyPXTAKPDXUKXVRE-MRXNPFEDSA-N
XLogP2.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-3-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933173
4-methoxy-3,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606937
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 30673568
4-methoxy-3-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932942
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 16933285
4-bromo-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933137
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-4-nitrobenzenesulfonamide
CID 16933141
N-[2-fluoro-4-[(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)sulfamoyl]phenyl]acetamide
CID 16933081
3-chloro-4-fluoro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 40863071
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3,4-dimethoxybenzenesulfonamide
CID 16933321
4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932940
3,4-difluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42891982

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide (CID 30606873) is 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)N2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is PXTAKPDXUKXVRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21FN2O4S2/c1-23-17-3-2-14(10-15(17)18)26(21,22)19-11-16(13-4-9-25-12-13)20-5-7-24-8-6-20/h2-4,9-10,12,16,19H,5-8,11H2,1H3/t16-/m1/s1.
What are the key properties of 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 30606873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).