4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide

C19H21N3O3S — CID 86974941

IUPAC4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3n2)c(C)c1
InChIInChI=1S/C19H21N3O3S/c1-14-13-16(25-2)8-9-18(14)26(23,24)21-12-11-20-19-10-7-15-5-3-4-6-17(15)22-19/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyPHHIUYMWKPFPSN-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.94
Rot. Bonds7

About 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide

4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 86974941) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide
PubChem CID86974941
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3n2)c(C)c1
InChIInChI=1S/C19H21N3O3S/c1-14-13-16(25-2)8-9-18(14)26(23,24)21-12-11-20-19-10-7-15-5-3-4-6-17(15)22-19/h3-10,13,21H,11-12H2,1-2H3,(H,20,22)
InChIKeyPHHIUYMWKPFPSN-UHFFFAOYSA-N
XLogP2.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110711871
N-[2-(2-hydroxyphenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110605307
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
4-methoxy-2-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 87032884
1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide
CID 56793271
N-[2-(2-fluorophenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113099217
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
4-methoxy-2-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 47316710
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
N-[(3R)-5-hydroxy-3-phenylpentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 99872864
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide (CID 86974941) is 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCNc2ccc3ccccc3n2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is PHHIUYMWKPFPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-14-13-16(25-2)8-9-18(14)26(23,24)21-12-11-20-19-10-7-15-5-3-4-6-17(15)22-19/h3-10,13,21H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide?
4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[2-(quinolin-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 86974941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).