4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide

C20H23ClN2O4S — CID 55346360

IUPAC4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O4S/c1-14(15-6-3-2-4-7-15)23-20(24)16-9-10-18(21)19(12-16)28(25,26)22-13-17-8-5-11-27-17/h2-4,6-7,9-10,12,14,17,22H,5,8,11,13H2,1H3,(H,23,24)
InChIKeyMTIAOUKXFLWWDO-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.29
Rot. Bonds7

About 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide

4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide (PubChem CID 55346360) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
PubChem CID55346360
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O4S/c1-14(15-6-3-2-4-7-15)23-20(24)16-9-10-18(21)19(12-16)28(25,26)22-13-17-8-5-11-27-17/h2-4,6-7,9-10,12,14,17,22H,5,8,11,13H2,1H3,(H,23,24)
InChIKeyMTIAOUKXFLWWDO-UHFFFAOYSA-N
XLogP3.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41139387
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55349787
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
2-chloro-5-[(3-methylbutanoylamino)carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46514467
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55366048
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
4-chloro-N-[(4-methylphenyl)methyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9473645
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588157
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide (CID 55346360) is 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1)c1ccccc1.
What is the InChIKey of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide?
The InChIKey is MTIAOUKXFLWWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-14(15-6-3-2-4-7-15)23-20(24)16-9-10-18(21)19(12-16)28(25,26)22-13-17-8-5-11-27-17/h2-4,6-7,9-10,12,14,17,22H,5,8,11,13H2,1H3,(H,23,24).
What are the key properties of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide?
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide has a molecular weight of 422.93 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 55346360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).