3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline

C14H18N4O2S — CID 164898456

IUPAC3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline
SMILESNc1cccc(S(=O)(=O)N2CCC(c3cnc[nH]3)CC2)c1
InChIInChI=1S/C14H18N4O2S/c15-12-2-1-3-13(8-12)21(19,20)18-6-4-11(5-7-18)14-9-16-10-17-14/h1-3,8-11H,4-7,15H2,(H,16,17)
InChIKeyJQSDKFFETWLVNC-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.56
Rot. Bonds3

About 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline

3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline (PubChem CID 164898456) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline.

Molecular Properties

Compound Name3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline
PubChem CID164898456
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline
SMILESNc1cccc(S(=O)(=O)N2CCC(c3cnc[nH]3)CC2)c1
InChIInChI=1S/C14H18N4O2S/c15-12-2-1-3-13(8-12)21(19,20)18-6-4-11(5-7-18)14-9-16-10-17-14/h1-3,8-11H,4-7,15H2,(H,16,17)
InChIKeyJQSDKFFETWLVNC-UHFFFAOYSA-N
XLogP1.56
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
3-(azetidin-1-ylsulfonyl)aniline
CID 130546539
3-(azepan-1-ylsulfonyl)aniline
CID 5004919
1-(3-aminophenyl)sulfonylpyrrolidin-3-ol
CID 62917852
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 61113905
N-[1-(3-aminophenyl)sulfonylpiperidin-4-yl]prop-2-enamide
CID 89237397
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]aniline
CID 114172233
5-pyrrolidin-1-ylsulfonylpyridin-3-amine
CID 82222980
3-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 90566188
3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327
2-(1H-imidazol-5-yl)-2,3-dihydro-1H-inden-5-amine
CID 22186066
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline?
The IUPAC name of 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline (CID 164898456) is 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline.
What is the SMILES notation for 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline?
The canonical SMILES for 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline is Nc1cccc(S(=O)(=O)N2CCC(c3cnc[nH]3)CC2)c1.
What is the InChIKey of 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline?
The InChIKey is JQSDKFFETWLVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c15-12-2-1-3-13(8-12)21(19,20)18-6-4-11(5-7-18)14-9-16-10-17-14/h1-3,8-11H,4-7,15H2,(H,16,17).
What are the key properties of 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline?
3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline has a molecular weight of 306.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-imidazol-5-yl)piperidin-1-yl]sulfonylaniline is sourced from PubChem (CID 164898456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).