N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide

C17H18N2O3S — CID 110757601

IUPACN-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O3S/c1-12(2)14-6-9-16(22-3)17(10-14)23(20,21)19-15-7-4-13(11-18)5-8-15/h4-10,12,19H,1-3H3
InChIKeyBVSZPKKZQOUHSK-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.49
Rot. Bonds5

About N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide

N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide (PubChem CID 110757601) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
PubChem CID110757601
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O3S/c1-12(2)14-6-9-16(22-3)17(10-14)23(20,21)19-15-7-4-13(11-18)5-8-15/h4-10,12,19H,1-3H3
InChIKeyBVSZPKKZQOUHSK-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

N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
4-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 15944042
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
N-(2-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 110757600
N-(3-cyanophenyl)-2-methoxy-4-propan-2-ylbenzenesulfonamide
CID 110758453
2-methoxy-5-methylsulfonyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 110300252
2-bromo-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 27658149
5-cyano-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 56684170
N-[(4-cyanophenyl)methyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46673405
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607
2-amino-N-(4-cyanophenyl)-4-methoxybenzenesulfonamide
CID 29296458
5-bromo-N-(4-cyanophenyl)-2-ethoxybenzenesulfonamide
CID 7939000

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide (CID 110757601) is N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide is COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
The InChIKey is BVSZPKKZQOUHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(2)14-6-9-16(22-3)17(10-14)23(20,21)19-15-7-4-13(11-18)5-8-15/h4-10,12,19H,1-3H3.
What are the key properties of N-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide?
N-(4-cyanophenyl)-2-methoxy-5-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-(4-cyanophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 110757601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).