2-morpholin-4-ylsulfonylbenzenesulfonamide

C10H14N2O5S2 — CID 43342653

IUPAC2-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H14N2O5S2/c11-18(13,14)9-3-1-2-4-10(9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H2,11,13,14)
InChIKeyXCLAKAAYNUQTQV-UHFFFAOYSA-N
MW306.36 g/mol
LogP-0.65
Rot. Bonds3

About 2-morpholin-4-ylsulfonylbenzenesulfonamide

2-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 43342653) has the molecular formula C10H14N2O5S2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID43342653
Molecular FormulaC10H14N2O5S2
Molecular Weight306.36 g/mol
Exact Mass306.03
IUPAC Name2-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H14N2O5S2/c11-18(13,14)9-3-1-2-4-10(9)19(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H2,11,13,14)
InChIKeyXCLAKAAYNUQTQV-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

2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 62929979
4-(2-nitrophenyl)sulfonylmorpholine
CID 796972
4-(4-bromonaphthalen-1-yl)sulfonylmorpholine
CID 1372559
2-amino-6-morpholin-4-ylsulfonylphenol
CID 59675783
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
3-(2-morpholin-4-ylsulfonylphenyl)aniline
CID 66864744
2-amino-3-morpholin-4-ylsulfonylbenzoic acid
CID 155339937
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
N-(2-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 167792664

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of 2-morpholin-4-ylsulfonylbenzenesulfonamide (CID 43342653) is 2-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-morpholin-4-ylsulfonylbenzenesulfonamide is NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is XCLAKAAYNUQTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S2/c11-18(13,14)9-3-1-2-4-10(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 2-morpholin-4-ylsulfonylbenzenesulfonamide?
2-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 2-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 43342653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).