2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

C20H22N2O2S — CID 17491309

IUPAC2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C20H22N2O2S/c1-15(2)17-9-7-16(8-10-17)14-22(19-11-12-19)25(23,24)20-6-4-3-5-18(20)13-21/h3-10,15,19H,11-12,14H2,1-2H3
InChIKeyYNCIIWXJECAALS-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.03
Rot. Bonds6

About 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide

2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (PubChem CID 17491309) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
PubChem CID17491309
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
SMILESCC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C20H22N2O2S/c1-15(2)17-9-7-16(8-10-17)14-22(19-11-12-19)25(23,24)20-6-4-3-5-18(20)13-21/h3-10,15,19H,11-12,14H2,1-2H3
InChIKeyYNCIIWXJECAALS-UHFFFAOYSA-N
XLogP4.03
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pf-04455242
CID 44599828
4-[2-[(4-Cyanophenyl)methylamino]ethyl]benzenesulfonamide
CID 168273662
2-[4-[(cyclopentylamino)methyl]phenyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 44600308
N-methyl-2-[4-(piperidin-1-ylmethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
CID 53465409
N,2-dimethyl-N-[[4-(2-pyrrolidin-1-ylsulfonylphenyl)phenyl]methyl]propan-1-amine
CID 53465412
2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide
CID 53466534
4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]benzenesulfonamide
CID 145981246
N-methyl-4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]benzenesulfonamide
CID 145988393
4-[(1R,2S)-2-(benzylamino)cyclopropyl]-N,N-diethylbenzenesulfonamide
CID 162646172
N-benzyl-N-(2-cyanoethyl)-4-propan-2-ylbenzenesulfonamide
CID 3862161
N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 71892207
N,N-dibenzyl-2-cyanobenzenesulfonamide
CID 127507057

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide (CID 17491309) is 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is CC(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccccc2C#N)cc1.
What is the InChIKey of 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is YNCIIWXJECAALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15(2)17-9-7-16(8-10-17)14-22(19-11-12-19)25(23,24)20-6-4-3-5-18(20)13-21/h3-10,15,19H,11-12,14H2,1-2H3.
What are the key properties of 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide?
2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide has a molecular weight of 354.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 17491309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).