2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide

C15H20N4O2S — CID 154769258

IUPAC2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCCC(n2ccnc2)C1
InChIInChI=1S/C15H20N4O2S/c1-16-22(20,21)15-7-3-2-6-14(15)18-9-4-5-13(11-18)19-10-8-17-12-19/h2-3,6-8,10,12-13,16H,4-5,9,11H2,1H3
InChIKeyNRFZWANKVUJGJQ-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.63
Rot. Bonds4

About 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide

2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide (PubChem CID 154769258) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide
PubChem CID154769258
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N1CCCC(n2ccnc2)C1
InChIInChI=1S/C15H20N4O2S/c1-16-22(20,21)15-7-3-2-6-14(15)18-9-4-5-13(11-18)19-10-8-17-12-19/h2-3,6-8,10,12-13,16H,4-5,9,11H2,1H3
InChIKeyNRFZWANKVUJGJQ-UHFFFAOYSA-N
XLogP1.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[2-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 115317043
N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]benzenesulfonamide
CID 115300856
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 103976908
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbenzenesulfonamide
CID 62063614
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 66201049
2-[(3R)-3-aminopiperidin-1-yl]-N-ethylbenzenesulfonamide
CID 102986774
methyl 1-[2-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxylate
CID 62006621
1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 95317069
4-methyl-1-[2-(methylsulfamoyl)phenyl]pyrrolidine-3-carboxylic acid
CID 63719639
2-[4-(2-amino-2-methylpropyl)piperazin-1-yl]-N-methylbenzenesulfonamide
CID 120848242
2-[2-(ethylaminomethyl)piperidin-1-yl]-N-methylbenzenesulfonamide
CID 63855104

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide (CID 154769258) is 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1N1CCCC(n2ccnc2)C1.
What is the InChIKey of 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide?
The InChIKey is NRFZWANKVUJGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-16-22(20,21)15-7-3-2-6-14(15)18-9-4-5-13(11-18)19-10-8-17-12-19/h2-3,6-8,10,12-13,16H,4-5,9,11H2,1H3.
What are the key properties of 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide?
2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide has a molecular weight of 320.42 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpiperidin-1-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 154769258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).