4-morpholin-4-ylsulfonylbenzenesulfonamide

C10H14N2O5S2 — CID 559413

IUPAC4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C10H14N2O5S2/c11-18(13,14)9-1-3-10(4-2-9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H2,11,13,14)
InChIKeyLJBMTWZCCBDJDG-UHFFFAOYSA-N
MW306.36 g/mol
LogP-0.65
Rot. Bonds3

About 4-morpholin-4-ylsulfonylbenzenesulfonamide

4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 559413) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID559413
Molecular FormulaC10H14N2O5S2
Molecular Weight306.36 g/mol
Exact Mass306.03
IUPAC Name4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C10H14N2O5S2/c11-18(13,14)9-1-3-10(4-2-9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H2,11,13,14)
InChIKeyLJBMTWZCCBDJDG-UHFFFAOYSA-N
XLogP-0.65
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Phenylsulfonyl)morpholine
CID 95050
N-(3-morpholinopropyl)benzene-1,4-disulfonamide (I-2)
CID 25059530
2,6-Dimethyl-4-(phenylsulfonyl)morpholine
CID 2849564
4-[3-(Piperidine-1-sulfonyl)-benzenesulfonyl]-morpholine
CID 1456422
4-(4-Pyrrolidin-1-ylsulfonylphenyl)sulfonylmorpholine
CID 1168274
4-((2-Fluorophenyl)sulfonyl)morpholine
CID 697731
4-((4-Fluorophenyl)sulfonyl)morpholine
CID 755377
4-[4-(2,6-Dimethylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 3226866
Benzene-1,4-disulfonic acid 1-dimethylamide 4-[(2-morpholin-4-yl-ethyl)-amide]
CID 23724415
N,N-bis(but-2-ynyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 646302
3-{4-[4-(Morpholine-4-sulfonyl)benzenesulfonyl]piperazin-1-YL}propanenitrile
CID 4122063
4-(3,4-Difluorobenzenesulfonyl)-2,6-dimethylmorpholine
CID 3495349

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of 4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 559413) is 4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for 4-morpholin-4-ylsulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is LJBMTWZCCBDJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c11-18(13,14)9-1-3-10(4-2-9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H2,11,13,14).
What are the key properties of 4-morpholin-4-ylsulfonylbenzenesulfonamide?
4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 559413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).