2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide

C14H17N3O3S — CID 60914928

IUPAC2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccncc2)c(N)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-2-3-14(13(15)10-12)21(18,19)17-9-6-11-4-7-16-8-5-11/h2-5,7-8,10,17H,6,9,15H2,1H3
InChIKeyQRATVMSKVPJJEC-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.19
Rot. Bonds6

About 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide

2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 60914928) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID60914928
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccncc2)c(N)c1
InChIInChI=1S/C14H17N3O3S/c1-20-12-2-3-14(13(15)10-12)21(18,19)17-9-6-11-4-7-16-8-5-11/h2-5,7-8,10,17H,6,9,15H2,1H3
InChIKeyQRATVMSKVPJJEC-UHFFFAOYSA-N
XLogP1.19
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.19
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

2-amino-4-cyano-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 64899992
4-amino-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 107856245
2-amino-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 43345862
2-amino-4-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106413739
2-amino-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106392270
5-amino-2-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 60914924
2-amino-N-(2,2-dimethylbutyl)-4-methoxybenzenesulfonamide
CID 103460076
N-[2-(4-aminophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 120715614
2-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 110758794
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methoxybenzenesulfonamide
CID 62975887
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 60914928) is 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccncc2)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is QRATVMSKVPJJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-12-2-3-14(13(15)10-12)21(18,19)17-9-6-11-4-7-16-8-5-11/h2-5,7-8,10,17H,6,9,15H2,1H3.
What are the key properties of 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide?
2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60914928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).