3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

C18H19ClN2O4S — CID 43002756

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O4S/c19-14-5-2-6-15(11-14)21-26(23,24)17-8-1-4-13(10-17)18(22)20-12-16-7-3-9-25-16/h1-2,4-6,8,10-11,16,21H,3,7,9,12H2,(H,20,22)
InChIKeyPFELNYQOZHRJRP-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.05
Rot. Bonds6

About 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 43002756) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID43002756
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H19ClN2O4S/c19-14-5-2-6-15(11-14)21-26(23,24)17-8-1-4-13(10-17)18(22)20-12-16-7-3-9-25-16/h1-2,4-6,8,10-11,16,21H,3,7,9,12H2,(H,20,22)
InChIKeyPFELNYQOZHRJRP-UHFFFAOYSA-N
XLogP3.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063950
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25331189
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42992216
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
3-[(3-chlorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513853
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
N-(oxolan-2-ylmethyl)-3-(pentylsulfamoyl)benzamide
CID 109063938
4-[(3-chlorophenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17205676

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 43002756) is 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is PFELNYQOZHRJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-14-5-2-6-15(11-14)21-26(23,24)17-8-1-4-13(10-17)18(22)20-12-16-7-3-9-25-16/h1-2,4-6,8,10-11,16,21H,3,7,9,12H2,(H,20,22).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 394.88 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 43002756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).