N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline

C19H24N2O2S — CID 110826196

IUPACN-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
SMILESCc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-16-5-7-17(8-6-16)15-20-18-9-11-19(12-10-18)24(22,23)21-13-3-2-4-14-21/h5-12,20H,2-4,13-15H2,1H3
InChIKeyRUDXFSWMWPTBLW-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.78
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline

N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline (PubChem CID 110826196) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
PubChem CID110826196
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
SMILESCc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-16-5-7-17(8-6-16)15-20-18-9-11-19(12-10-18)24(22,23)21-13-3-2-4-14-21/h5-12,20H,2-4,13-15H2,1H3
InChIKeyRUDXFSWMWPTBLW-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-methylphenyl)methyl]aniline
CID 110826197
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
2-[(4-methylphenyl)methylamino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824134
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
CID 735445
(11E)-1-(4-methylphenyl)sulfonyl-1-azacyclohenicos-11-ene
CID 11396698
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline (CID 110826196) is N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline is Cc1ccc(CNc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline?
The InChIKey is RUDXFSWMWPTBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-16-5-7-17(8-6-16)15-20-18-9-11-19(12-10-18)24(22,23)21-13-3-2-4-14-21/h5-12,20H,2-4,13-15H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline?
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline has a molecular weight of 344.48 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 110826196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).