N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide

C17H18N2O3S — CID 110758453

IUPACN-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H18N2O3S/c1-12(2)14-7-8-17(16(10-14)22-3)23(20,21)19-15-6-4-5-13(9-15)11-18/h4-10,12,19H,1-3H3
InChIKeyNMWISSJQADPHFU-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.49
Rot. Bonds5

About N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide

N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide (PubChem CID 110758453) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
PubChem CID110758453
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C(C)C)ccc1S(=O)(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H18N2O3S/c1-12(2)14-7-8-17(16(10-14)22-3)23(20,21)19-15-6-4-5-13(9-15)11-18/h4-10,12,19H,1-3H3
InChIKeyNMWISSJQADPHFU-UHFFFAOYSA-N
XLogP3.49
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(3-cyanophenyl)-2-methoxybenzenesulfonamide
CID 43257540
N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757601
2-methoxy-4-propan-2-yl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110758446
2-methoxy-N,4-di(propan-2-yl)benzenesulfonamide
CID 110758402
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
methyl 2-[(3-cyanophenyl)sulfamoyl]-6-methylbenzoate
CID 49186745
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
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
4-bromo-N-(3-cyanophenyl)-2-fluorobenzenesulfonamide
CID 116527479

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide (CID 110758453) is N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide is COc1cc(C(C)C)ccc1S(=O)(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide?
The InChIKey is NMWISSJQADPHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(2)14-7-8-17(16(10-14)22-3)23(20,21)19-15-6-4-5-13(9-15)11-18/h4-10,12,19H,1-3H3.
What are the key properties of N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide?
N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110758453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).