N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide

C14H17N3O2S — CID 60864543

IUPACN-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H17N3O2S/c1-11-5-6-12(15)10-14(11)17-20(18,19)9-7-13-4-2-3-8-16-13/h2-6,8,10,17H,7,9,15H2,1H3
InChIKeyAQQTVIDEXFCMLZ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.96
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide

N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 60864543) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID60864543
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)CCc1ccccn1
InChIInChI=1S/C14H17N3O2S/c1-11-5-6-12(15)10-14(11)17-20(18,19)9-7-13-4-2-3-8-16-13/h2-6,8,10,17H,7,9,15H2,1H3
InChIKeyAQQTVIDEXFCMLZ-UHFFFAOYSA-N
XLogP1.96
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864548
N-(5-amino-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82839900
N-(5-amino-2-methylphenyl)-2-cyclopropylethanesulfonamide
CID 112746873
N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 55026068
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
CID 62909121
N-(5-chloro-2-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 25040971
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 103098114
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
methyl 4-(2-pyridin-2-ylethylsulfonylamino)thiophene-3-carboxylate
CID 25046544

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide (CID 60864543) is N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide is Cc1ccc(N)cc1NS(=O)(=O)CCc1ccccn1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is AQQTVIDEXFCMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-5-6-12(15)10-14(11)17-20(18,19)9-7-13-4-2-3-8-16-13/h2-6,8,10,17H,7,9,15H2,1H3.
What are the key properties of N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide?
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 60864543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).