N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide

C14H20N2O3S — CID 43454039

IUPACN-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C14H20N2O3S/c17-20(18,16-12-3-4-12)14-7-5-11(6-8-14)15-10-13-2-1-9-19-13/h5-8,12-13,15-16H,1-4,9-10H2
InChIKeyZQYWDXKVFNVNGV-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.72
Rot. Bonds6

About N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide

N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide (PubChem CID 43454039) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
PubChem CID43454039
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C14H20N2O3S/c17-20(18,16-12-3-4-12)14-7-5-11(6-8-14)15-10-13-2-1-9-19-13/h5-8,12-13,15-16H,1-4,9-10H2
InChIKeyZQYWDXKVFNVNGV-UHFFFAOYSA-N
XLogP1.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981235
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981233
5-(cyclopropylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99982875
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
4-(cycloheptylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 109059992
5-(cyclohexylsulfamoyl)-2-[[(2S)-oxolan-2-yl]methylamino]benzoic acid
CID 99983158
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide (CID 43454039) is N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(NCC2CCCO2)cc1.
What is the InChIKey of N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide?
The InChIKey is ZQYWDXKVFNVNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c17-20(18,16-12-3-4-12)14-7-5-11(6-8-14)15-10-13-2-1-9-19-13/h5-8,12-13,15-16H,1-4,9-10H2.
What are the key properties of N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide?
N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide has a molecular weight of 296.39 g/mol, XLogP of 1.72, 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-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43454039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).