N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

C17H18N2O3S — CID 110758195

IUPACN-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C#N)cc2)ccc1OC(C)C
InChIInChI=1S/C17H18N2O3S/c1-12(2)22-17-9-8-16(10-13(17)3)23(20,21)19-15-6-4-14(11-18)5-7-15/h4-10,12,19H,1-3H3
InChIKeyMEBCBPMHVNBXSL-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.45
Rot. Bonds5

About N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110758195) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID110758195
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC NameN-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C#N)cc2)ccc1OC(C)C
InChIInChI=1S/C17H18N2O3S/c1-12(2)22-17-9-8-16(10-13(17)3)23(20,21)19-15-6-4-14(11-18)5-7-15/h4-10,12,19H,1-3H3
InChIKeyMEBCBPMHVNBXSL-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
N-methyl-2-[4-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]phenyl]acetamide
CID 87026713
3-methyl-N-(2-methyl-4-pyridinyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758191
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
N-(1H-indazol-6-yl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 110758188
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394212
4-cyano-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 8501259
4-cyano-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813559
N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
CID 20737165

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 110758195) is N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C#N)cc2)ccc1OC(C)C.
What is the InChIKey of N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is MEBCBPMHVNBXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-12(2)22-17-9-8-16(10-13(17)3)23(20,21)19-15-6-4-14(11-18)5-7-15/h4-10,12,19H,1-3H3.
What are the key properties of N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110758195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).