4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide

C14H13N3O3S — CID 43257540

IUPAC4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H13N3O3S/c1-20-13-8-11(16)5-6-14(13)21(18,19)17-12-4-2-3-10(7-12)9-15/h2-8,17H,16H2,1H3
InChIKeyWUUKREWDYUYZKF-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.95
Rot. Bonds4

About 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide

4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide (PubChem CID 43257540) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
PubChem CID43257540
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C14H13N3O3S/c1-20-13-8-11(16)5-6-14(13)21(18,19)17-12-4-2-3-10(7-12)9-15/h2-8,17H,16H2,1H3
InChIKeyWUUKREWDYUYZKF-UHFFFAOYSA-N
XLogP1.95
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.95
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-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758453
4-amino-N-(3-bromophenyl)-2-methoxybenzenesulfonamide
CID 43257571
4-amino-N-(3,5-dichlorophenyl)-2-methoxybenzenesulfonamide
CID 43258342
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
N-(3-cyanophenyl)-3-ethyl-4-methoxybenzenesulfonamide
CID 110757847
N-(3-ethynylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60531704
N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
CID 47141612
5-amino-N-(3-iodophenyl)-2-methoxybenzenesulfonamide
CID 43124455
methyl 2-[(3-cyanophenyl)sulfamoyl]-6-methylbenzoate
CID 49186745
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide (CID 43257540) is 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is WUUKREWDYUYZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-13-8-11(16)5-6-14(13)21(18,19)17-12-4-2-3-10(7-12)9-15/h2-8,17H,16H2,1H3.
What are the key properties of 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide?
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43257540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).