4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C16H20N2O5S3 — CID 3226777

IUPAC4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H20N2O5S3/c1-13(16-3-2-12-24-16)17-25(19,20)14-4-6-15(7-5-14)26(21,22)18-8-10-23-11-9-18/h2-7,12-13,17H,8-11H2,1H3
InChIKeyLVJNSJVKVSUAOV-UHFFFAOYSA-N
MW416.55 g/mol
LogP1.81
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide

4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 3226777) has the molecular formula C16H20N2O5S3 and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID3226777
Molecular FormulaC16H20N2O5S3
Molecular Weight416.55 g/mol
Exact Mass416.05
IUPAC Name4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H20N2O5S3/c1-13(16-3-2-12-24-16)17-25(19,20)14-4-6-15(7-5-14)26(21,22)18-8-10-23-11-9-18/h2-7,12-13,17H,8-11H2,1H3
InChIKeyLVJNSJVKVSUAOV-UHFFFAOYSA-N
XLogP1.81
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-(Morpholine-4-sulfonyl)thiophen-2-yl)methanamine
CID 16227260
Benzene-1,4-disulfonic acid 1-cyclopentylamide 4-[(tetrahydro-furan-2-ylmethyl)-thiophen-2-ylmethyl-amide]
CID 648468
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 7939270
4-methyl-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 12006138
US10807974, Example 34
CID 130345119
N-Cyclopropyl-4-(2-ethyl-piperidine-1-sulfonyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 645530
4-(Piperidine-1-sulfonyl)-N-(tetrahydro-furan-2-ylmethyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 647891
Benzene-1,4-disulfonic acid 1-dimethylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 1168553
Benzene-1,4-disulfonic acid 1-diethylamide 4-[(thiophen-2-ylmethyl)-amide]
CID 1174581
4-(3-Methyl-piperidine-1-sulfonyl)-N-(1-thiophen-2-yl-ethyl)-benzenesulfonamide
CID 3226730

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 3226777) is 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is LVJNSJVKVSUAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S3/c1-13(16-3-2-12-24-16)17-25(19,20)14-4-6-15(7-5-14)26(21,22)18-8-10-23-11-9-18/h2-7,12-13,17H,8-11H2,1H3.
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 416.55 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3226777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).