4-(azocan-1-ylsulfonyl)-N-methylaniline

C14H22N2O2S — CID 43332108

IUPAC4-(azocan-1-ylsulfonyl)-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-15-13-7-9-14(10-8-13)19(17,18)16-11-5-3-2-4-6-12-16/h7-10,15H,2-6,11-12H2,1H3
InChIKeyQPNISGVZWSTJJR-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.68
Rot. Bonds3

About 4-(azocan-1-ylsulfonyl)-N-methylaniline

4-(azocan-1-ylsulfonyl)-N-methylaniline (PubChem CID 43332108) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-(azocan-1-ylsulfonyl)-N-methylaniline.

Molecular Properties

Compound Name4-(azocan-1-ylsulfonyl)-N-methylaniline
PubChem CID43332108
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-(azocan-1-ylsulfonyl)-N-methylaniline
SMILESCNc1ccc(S(=O)(=O)N2CCCCCCC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-15-13-7-9-14(10-8-13)19(17,18)16-11-5-3-2-4-6-12-16/h7-10,15H,2-6,11-12H2,1H3
InChIKeyQPNISGVZWSTJJR-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
(4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 19351291
4-methyl-1-[4-(methylamino)phenyl]sulfonylazepan-4-ol
CID 107405201
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
N,N-dimethyl-1-[4-(methylamino)phenyl]sulfonylpiperidin-4-amine
CID 43586342
N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
CID 735445
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzenesulfonamide
CID 19684568
4-(3-ethylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 43584842
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 134034160
N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carboxamide
CID 6460433

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-ylsulfonyl)-N-methylaniline?
The IUPAC name of 4-(azocan-1-ylsulfonyl)-N-methylaniline (CID 43332108) is 4-(azocan-1-ylsulfonyl)-N-methylaniline.
What is the SMILES notation for 4-(azocan-1-ylsulfonyl)-N-methylaniline?
The canonical SMILES for 4-(azocan-1-ylsulfonyl)-N-methylaniline is CNc1ccc(S(=O)(=O)N2CCCCCCC2)cc1.
What is the InChIKey of 4-(azocan-1-ylsulfonyl)-N-methylaniline?
The InChIKey is QPNISGVZWSTJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-15-13-7-9-14(10-8-13)19(17,18)16-11-5-3-2-4-6-12-16/h7-10,15H,2-6,11-12H2,1H3.
What are the key properties of 4-(azocan-1-ylsulfonyl)-N-methylaniline?
4-(azocan-1-ylsulfonyl)-N-methylaniline has a molecular weight of 282.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-ylsulfonyl)-N-methylaniline is sourced from PubChem (CID 43332108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).