N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide

C13H20N2O4S — CID 63246467

IUPACN-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H20N2O4S/c14-12-5-1-2-6-13(12)15(7-8-16)20(17,18)10-11-4-3-9-19-11/h1-2,5-6,11,16H,3-4,7-10,14H2
InChIKeyNMNAKBFCUFCIMT-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.58
Rot. Bonds6

About N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide

N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246467) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246467
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide
SMILESNc1ccccc1N(CCO)S(=O)(=O)CC1CCCO1
InChIInChI=1S/C13H20N2O4S/c14-12-5-1-2-6-13(12)15(7-8-16)20(17,18)10-11-4-3-9-19-11/h1-2,5-6,11,16H,3-4,7-10,14H2
InChIKeyNMNAKBFCUFCIMT-UHFFFAOYSA-N
XLogP0.58
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 7364887
CID 7364887
CID 164639924
CID 164639924
CID 7364888
CID 7364888
CID 43550533
CID 43550533
CID 56795203
CID 56795203
CID 63246551
CID 63246551
CID 63246552
CID 63246552
CID 63246553
CID 63246553
CID 83047630
CID 83047630
CID 121589808
CID 121589808
CID 129380771
CID 129380771
CID 129380772
CID 129380772

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide (CID 63246467) is N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide is Nc1ccccc1N(CCO)S(=O)(=O)CC1CCCO1.
What is the InChIKey of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is NMNAKBFCUFCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c14-12-5-1-2-6-13(12)15(7-8-16)20(17,18)10-11-4-3-9-19-11/h1-2,5-6,11,16H,3-4,7-10,14H2.
What are the key properties of N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide?
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-(2-hydroxyethyl)-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).