4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C17H25ClN2O4S — CID 46514472

IUPAC4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H25ClN2O4S/c1-12(2)7-8-19-17(21)13-5-6-15(18)16(10-13)25(22,23)20-11-14-4-3-9-24-14/h5-6,10,12,14,20H,3-4,7-9,11H2,1-2H3,(H,19,21)
InChIKeyWVKCRDVMNHXTDW-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.57
Rot. Bonds8

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

4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 46514472) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID46514472
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C17H25ClN2O4S/c1-12(2)7-8-19-17(21)13-5-6-15(18)16(10-13)25(22,23)20-11-14-4-3-9-24-14/h5-6,10,12,14,20H,3-4,7-9,11H2,1-2H3,(H,19,21)
InChIKeyWVKCRDVMNHXTDW-UHFFFAOYSA-N
XLogP2.57
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
2-chloro-5-[(3-methylbutanoylamino)carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46514467
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
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-[1-(2,5-dimethylphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55349787
4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 52516203
[1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 55366048
4-chloro-N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514436
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41139387
4-chloro-N-[3-(3-methylphenoxy)propyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42923752

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 46514472) is 4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CC(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is WVKCRDVMNHXTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-12(2)7-8-19-17(21)13-5-6-15(18)16(10-13)25(22,23)20-11-14-4-3-9-24-14/h5-6,10,12,14,20H,3-4,7-9,11H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 388.92 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 46514472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).