N-(4-cyanophenyl)-2-methoxybenzenesulfonamide

C14H12N2O3S — CID 47104401

IUPACN-(4-cyanophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-13-4-2-3-5-14(13)20(17,18)16-12-8-6-11(10-15)7-9-12/h2-9,16H,1H3
InChIKeyNPEBSEFIUUDWIW-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.37
Rot. Bonds4

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

N-(4-cyanophenyl)-2-methoxybenzenesulfonamide (PubChem CID 47104401) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-methoxybenzenesulfonamide
PubChem CID47104401
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-(4-cyanophenyl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-13-4-2-3-5-14(13)20(17,18)16-12-8-6-11(10-15)7-9-12/h2-9,16H,1H3
InChIKeyNPEBSEFIUUDWIW-UHFFFAOYSA-N
XLogP2.37
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757601
2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2538540
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 25152522
N-(3-ethynylphenyl)-2-methoxybenzenesulfonamide
CID 47141612
N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
3-chloro-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 47309323
2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
CID 29296458
5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 56684170
N,N-diethyl-4-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 4786362
2-cyano-N-(3-ethyl-4-methoxyphenyl)benzenesulfonamide
CID 110777228
2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 134025737
4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-2-methoxybenzenesulfonamide (CID 47104401) is N-(4-cyanophenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-methoxybenzenesulfonamide?
The InChIKey is NPEBSEFIUUDWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-13-4-2-3-5-14(13)20(17,18)16-12-8-6-11(10-15)7-9-12/h2-9,16H,1H3.
What are the key properties of N-(4-cyanophenyl)-2-methoxybenzenesulfonamide?
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 47104401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).