3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C16H24N2O7S3 — CID 42656206

IUPAC3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)c2cccc(S(=O)(=O)NCCN3CCOCC3)c2)C1
InChIInChI=1S/C16H24N2O7S3/c19-26(20)11-4-16(13-26)27(21,22)14-2-1-3-15(12-14)28(23,24)17-5-6-18-7-9-25-10-8-18/h1-3,12,16-17H,4-11,13H2
InChIKeyULICTQJVZUGAAT-UHFFFAOYSA-N
MW452.58 g/mol
LogP-0.74
Rot. Bonds7

About 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide

3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 42656206) has the molecular formula C16H24N2O7S3 and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID42656206
Molecular FormulaC16H24N2O7S3
Molecular Weight452.58 g/mol
Exact Mass452.07
IUPAC Name3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)c2cccc(S(=O)(=O)NCCN3CCOCC3)c2)C1
InChIInChI=1S/C16H24N2O7S3/c19-26(20)11-4-16(13-26)27(21,22)14-2-1-3-15(12-14)28(23,24)17-5-6-18-7-9-25-10-8-18/h1-3,12,16-17H,4-11,13H2
InChIKeyULICTQJVZUGAAT-UHFFFAOYSA-N
XLogP-0.74
TPSA126.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-cyclohexyl-3-[(3S)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
CID 38996571
(3R)-3-[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylthiolane 1,1-dioxide
CID 38996665
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
N-(2-bromophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
CID 38996876
3-(cyclopropylmethylsulfamoyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 47039154
N-(2,4-dichlorophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
CID 38996892
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
3-(2-pyrrolidin-1-ylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958196
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 42656206) is 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S1(=O)CCC(S(=O)(=O)c2cccc(S(=O)(=O)NCCN3CCOCC3)c2)C1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is ULICTQJVZUGAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O7S3/c19-26(20)11-4-16(13-26)27(21,22)14-2-1-3-15(12-14)28(23,24)17-5-6-18-7-9-25-10-8-18/h1-3,12,16-17H,4-11,13H2.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of -0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 42656206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).