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

C14H13N3O3S — CID 29296458

IUPAC2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)c(N)c1
InChIInChI=1S/C14H13N3O3S/c1-20-12-6-7-14(13(16)8-12)21(18,19)17-11-4-2-10(9-15)3-5-11/h2-8,17H,16H2,1H3
InChIKeyGJMOBULUALLRIN-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.95
Rot. Bonds4

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

2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide (PubChem CID 29296458) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
PubChem CID29296458
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)c(N)c1
InChIInChI=1S/C14H13N3O3S/c1-20-12-6-7-14(13(16)8-12)21(18,19)17-11-4-2-10(9-15)3-5-11/h2-8,17H,16H2,1H3
InChIKeyGJMOBULUALLRIN-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

4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
2-amino-5-bromo-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 106491269
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
4-amino-2-chloro-N-(4-cyanophenyl)benzenesulfonamide
CID 28553639
4-amino-2-bromo-N-(4-cyanophenyl)benzenesulfonamide
CID 43256061
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28522742
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
2-amino-4-cyano-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 64898474
1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166182205
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide (CID 29296458) is 2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)c(N)c1.
What is the InChIKey of 2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is GJMOBULUALLRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-12-6-7-14(13(16)8-12)21(18,19)17-11-4-2-10(9-15)3-5-11/h2-8,17H,16H2,1H3.
What are the key properties of 2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide?
2-amino-N-(4-cyanophenyl)-4-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 2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 29296458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).