4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C15H18N2O5S3 — CID 1168356

IUPAC4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H18N2O5S3/c18-24(19,16-12-13-2-1-11-23-13)14-3-5-15(6-4-14)25(20,21)17-7-9-22-10-8-17/h1-6,11,16H,7-10,12H2
InChIKeyOIODWRPPQFQPHY-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.25
Rot. Bonds6

About 4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide

4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 1168356) has the molecular formula C15H18N2O5S3 and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID1168356
Molecular FormulaC15H18N2O5S3
Molecular Weight402.52 g/mol
Exact Mass402.04
IUPAC Name4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H18N2O5S3/c18-24(19,16-12-13-2-1-11-23-13)14-3-5-15(6-4-14)25(20,21)17-7-9-22-10-8-17/h1-6,11,16H,7-10,12H2
InChIKeyOIODWRPPQFQPHY-UHFFFAOYSA-N
XLogP1.25
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(Morpholin-4-ylmethyl)phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033682
(5-(Morpholine-4-sulfonyl)thiophen-2-yl)methanamine
CID 16227260
N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 4250425
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
N-(3-morpholin-4-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 7939270
[5-[4-(2-Methoxyethylsulfonyl)phenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345082
US10807974, Example 34
CID 130345119
3-(Piperidine-1-sulfonyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 646351
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-fluoro-N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 12006146

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 1168356) is 4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is OIODWRPPQFQPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S3/c18-24(19,16-12-13-2-1-11-23-13)14-3-5-15(6-4-14)25(20,21)17-7-9-22-10-8-17/h1-6,11,16H,7-10,12H2.
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 1.25, 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-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 1168356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).