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

N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-propan-2-ylmethanesulfonamide
CID 63247520
2-N-(oxolan-2-ylmethyl)-2-N-propylbenzene-1,2-diamine
CID 55174589
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
2-(oxolan-2-ylmethylsulfonyl)pyridin-3-amine
CID 61367073
N-(2-aminophenyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65157069
N-(2-hydroxyethyl)-1-(oxolan-2-yl)-N-prop-2-enylmethanesulfonamide
CID 115754603
2-[2-(oxolan-2-ylmethylsulfonyl)ethoxy]aniline
CID 106494924
N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide
CID 106494941
N-(2-aminophenyl)-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43550518
2-methyl-3-(oxan-2-ylmethylsulfonyl)aniline
CID 81190309
N-[(3-aminophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175662
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525

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).