3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

C18H19ClN2O4S — CID 109063950

IUPAC3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O4S/c19-14-6-8-15(9-7-14)21-26(23,24)17-5-1-3-13(11-17)18(22)20-12-16-4-2-10-25-16/h1,3,5-9,11,16,21H,2,4,10,12H2,(H,20,22)
InChIKeyRDJKXGCCHVLKTL-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.05
Rot. Bonds6

About 3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide

3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 109063950) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID109063950
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O4S/c19-14-6-8-15(9-7-14)21-26(23,24)17-5-1-3-13(11-17)18(22)20-12-16-4-2-10-25-16/h1,3,5-9,11,16,21H,2,4,10,12H2,(H,20,22)
InChIKeyRDJKXGCCHVLKTL-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-[(3-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 43002756
N-(oxolan-2-ylmethyl)-3-(phenylsulfamoyl)benzamide
CID 19257393
3-[(2-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 18108761
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
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-[(3-nitrophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7724531
3-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 109063959
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
3-(butylsulfamoyl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 27518057

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide (CID 109063950) is 3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is RDJKXGCCHVLKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-14-6-8-15(9-7-14)21-26(23,24)17-5-1-3-13(11-17)18(22)20-12-16-4-2-10-25-16/h1,3,5-9,11,16,21H,2,4,10,12H2,(H,20,22).
What are the key properties of 3-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide?
3-[(4-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-[(4-chlorophenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 109063950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).