N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

C15H17ClN2O5S — CID 24686545

IUPACN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1=COCCO1
InChIInChI=1S/C15H17ClN2O5S/c16-12-4-3-11(17-15(19)13-10-22-7-8-23-13)9-14(12)24(20,21)18-5-1-2-6-18/h3-4,9-10H,1-2,5-8H2,(H,17,19)
InChIKeyREMGXPFKOZMYRQ-UHFFFAOYSA-N
MW372.83 g/mol
LogP1.95
Rot. Bonds4

About N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 24686545) has the molecular formula C15H17ClN2O5S and a molecular weight of 372.83 g/mol. Its IUPAC name is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID24686545
Molecular FormulaC15H17ClN2O5S
Molecular Weight372.83 g/mol
Exact Mass372.05
IUPAC NameN-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1=COCCO1
InChIInChI=1S/C15H17ClN2O5S/c16-12-4-3-11(17-15(19)13-10-22-7-8-23-13)9-14(12)24(20,21)18-5-1-2-6-18/h3-4,9-10H,1-2,5-8H2,(H,17,19)
InChIKeyREMGXPFKOZMYRQ-UHFFFAOYSA-N
XLogP1.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 2314955
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704617
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 55678464
2-[(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974405
2-tert-butylsulfanyl-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 78769070
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylthiophene-2-carboxamide
CID 4882272
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
CID 9103361
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 112789663
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704875
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)furan-3-carboxamide
CID 27007356
N-(4-methoxy-3-sulfamoylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 60631239

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 24686545) is N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C1=COCCO1.
What is the InChIKey of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is REMGXPFKOZMYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O5S/c16-12-4-3-11(17-15(19)13-10-22-7-8-23-13)9-14(12)24(20,21)18-5-1-2-6-18/h3-4,9-10H,1-2,5-8H2,(H,17,19).
What are the key properties of N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 372.83 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 24686545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).