5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile

C14H22N4O3S — CID 143880275

IUPAC5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile
SMILESCCNc1ccc(OC)c(S(N)(=O)=O)c1.N#CN1CCCC1
InChIInChI=1S/C9H14N2O3S.C5H8N2/c1-3-11-7-4-5-8(14-2)9(6-7)15(10,12)13;6-5-7-3-1-2-4-7/h4-6,11H,3H2,1-2H3,(H2,10,12,13);1-4H2
InChIKeyCIYRTNIXWZJBNX-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.34
Rot. Bonds4

About 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile

5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile (PubChem CID 143880275) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile
PubChem CID143880275
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile
SMILESCCNc1ccc(OC)c(S(N)(=O)=O)c1.N#CN1CCCC1
InChIInChI=1S/C9H14N2O3S.C5H8N2/c1-3-11-7-4-5-8(14-2)9(6-7)15(10,12)13;6-5-7-3-1-2-4-7/h4-6,11H,3H2,1-2H3,(H2,10,12,13);1-4H2
InChIKeyCIYRTNIXWZJBNX-UHFFFAOYSA-N
XLogP1.34
TPSA108.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-(3-methylpentylamino)benzenesulfonamide;pyrrolidine-1-carbonitrile
CID 143880260
2-methoxy-5-(pentylamino)benzenesulfonamide
CID 143880253
5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 64987778
1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea
CID 116658847
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
5-(ethylamino)-2-methoxyphenol
CID 43743866
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
4-ethyl-N-(4-methoxy-3-sulfamoylphenyl)-5-propylthiophene-2-carboxamide
CID 9378750
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 47245842
N-(4-methoxy-3-sulfamoylphenyl)oxolane-2-carboxamide
CID 43212401

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile?
The IUPAC name of 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile (CID 143880275) is 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile.
What is the SMILES notation for 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile?
The canonical SMILES for 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile is CCNc1ccc(OC)c(S(N)(=O)=O)c1.N#CN1CCCC1.
What is the InChIKey of 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile?
The InChIKey is CIYRTNIXWZJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S.C5H8N2/c1-3-11-7-4-5-8(14-2)9(6-7)15(10,12)13;6-5-7-3-1-2-4-7/h4-6,11H,3H2,1-2H3,(H2,10,12,13);1-4H2.
What are the key properties of 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile?
5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile has a molecular weight of 326.42 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile is sourced from PubChem (CID 143880275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).