N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C15H20N2O4S — CID 51163666

IUPACN-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O4S/c18-15(17-12-5-6-12)11-3-7-14(8-4-11)22(19,20)16-10-13-2-1-9-21-13/h3-4,7-8,12-13,16H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyKVESKGQHPVWMHD-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.04
Rot. Bonds6

About N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 51163666) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID51163666
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC NameN-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(NC1CC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H20N2O4S/c18-15(17-12-5-6-12)11-3-7-14(8-4-11)22(19,20)16-10-13-2-1-9-21-13/h3-4,7-8,12-13,16H,1-2,5-6,9-10H2,(H,17,18)
InChIKeyKVESKGQHPVWMHD-UHFFFAOYSA-N
XLogP1.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethylsulfamoyl)-N-pyrrolidin-3-ylbenzamide
CID 119450353
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55959805
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119601403
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
N-(1-benzylpyrrolidin-3-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24633069
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 34239048
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 51163666) is N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide is O=C(NC1CC1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is KVESKGQHPVWMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c18-15(17-12-5-6-12)11-3-7-14(8-4-11)22(19,20)16-10-13-2-1-9-21-13/h3-4,7-8,12-13,16H,1-2,5-6,9-10H2,(H,17,18).
What are the key properties of N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 324.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 51163666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).