2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C16H20Cl2N2O4S — CID 2941547

IUPAC2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1CCCO1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-9-14(18)15(25(22,23)20-5-1-2-6-20)8-12(13)16(21)19-10-11-4-3-7-24-11/h8-9,11H,1-7,10H2,(H,19,21)
InChIKeyPMSRBHOVTZKOTD-UHFFFAOYSA-N
MW407.32 g/mol
LogP2.69
Rot. Bonds5

About 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2941547) has the molecular formula C16H20Cl2N2O4S and a molecular weight of 407.32 g/mol. Its IUPAC name is 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2941547
Molecular FormulaC16H20Cl2N2O4S
Molecular Weight407.32 g/mol
Exact Mass406.05
IUPAC Name2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1CCCO1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-9-14(18)15(25(22,23)20-5-1-2-6-20)8-12(13)16(21)19-10-11-4-3-7-24-11/h8-9,11H,1-7,10H2,(H,19,21)
InChIKeyPMSRBHOVTZKOTD-UHFFFAOYSA-N
XLogP2.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2,4-dichloro-5-sulfamoylbenzamide
CID 34852311
2,4-dichloro-N-(2-hydroxyethyl)-5-sulfamoylbenzamide
CID 12698192
2,4-dichloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 21189414
2,4-Dichloro-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 60635890
3-[(2,4-Dichloro-5-sulfamoyl-benzoyl)amino]propyl acetate
CID 126507183
2,4-dichloro-N-(3-hydroxypropyl)-5-sulfamoyl-benzamide
CID 126508709
Methyl 4-[(2,4-dichloro-5-sulfamoylbenzoyl)amino]butanoate
CID 126508879
2,4-dichloro-5-[(dimethylamino)sulfonyl]-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2953771
2,4-dichloro-N-cyclopentyl-5-(4-morpholinylsulfonyl)benzamide
CID 1310572
2,4-dichloro-N-(2-methylpropyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 2608099
4-[2,4-Dichloro-5-(1-pyrrolidinylsulfonyl)benzoyl]-2,6-dimethylmorpholine
CID 2942160
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 4772089

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 2941547) is 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCC1CCCO1)c1cc(S(=O)(=O)N2CCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PMSRBHOVTZKOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4S/c17-13-9-14(18)15(25(22,23)20-5-1-2-6-20)8-12(13)16(21)19-10-11-4-3-7-24-11/h8-9,11H,1-7,10H2,(H,19,21).
What are the key properties of 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 407.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(oxolan-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2941547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).