3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

C18H18Cl2N2O4S — CID 42992216

IUPAC3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O4S/c19-16-7-6-15(10-17(16)20)27(24,25)22-13-4-1-3-12(9-13)18(23)21-11-14-5-2-8-26-14/h1,3-4,6-7,9-10,14,22H,2,5,8,11H2,(H,21,23)
InChIKeyQEXCTXBGMKZDQK-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.70
Rot. Bonds6

About 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide

3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 42992216) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID42992216
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H18Cl2N2O4S/c19-16-7-6-15(10-17(16)20)27(24,25)22-13-4-1-3-12(9-13)18(23)21-11-14-5-2-8-26-14/h1,3-4,6-7,9-10,14,22H,2,5,8,11H2,(H,21,23)
InChIKeyQEXCTXBGMKZDQK-UHFFFAOYSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 43005959
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
N-(2-benzamidoethyl)-3-[(3,4-dichlorophenyl)sulfonylamino]benzamide
CID 24659997
5-[(4-bromophenyl)sulfamoyl]-2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2083754
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
3-[(3,4-dichlorophenyl)sulfonylamino]-N-propylbenzamide
CID 17495670
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide (CID 42992216) is 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is QEXCTXBGMKZDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c19-16-7-6-15(10-17(16)20)27(24,25)22-13-4-1-3-12(9-13)18(23)21-11-14-5-2-8-26-14/h1,3-4,6-7,9-10,14,22H,2,5,8,11H2,(H,21,23).
What are the key properties of 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide?
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 429.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 42992216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).