N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide

C14H17N3O2S — CID 91956301

IUPACN-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnc[nH]2)cc1)C1CCCC1
InChIInChI=1S/C14H17N3O2S/c18-20(19,13-3-1-2-4-13)17-12-7-5-11(6-8-12)14-9-15-10-16-14/h5-10,13,17H,1-4H2,(H,15,16)
InChIKeyOJVRCSBTMVNRBJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.76
Rot. Bonds4

About N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide

N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide (PubChem CID 91956301) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
PubChem CID91956301
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide
SMILESO=S(=O)(Nc1ccc(-c2cnc[nH]2)cc1)C1CCCC1
InChIInChI=1S/C14H17N3O2S/c18-20(19,13-3-1-2-4-13)17-12-7-5-11(6-8-12)14-9-15-10-16-14/h5-10,13,17H,1-4H2,(H,15,16)
InChIKeyOJVRCSBTMVNRBJ-UHFFFAOYSA-N
XLogP2.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide (CID 91956301) is N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide is O=S(=O)(Nc1ccc(-c2cnc[nH]2)cc1)C1CCCC1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide?
The InChIKey is OJVRCSBTMVNRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c18-20(19,13-3-1-2-4-13)17-12-7-5-11(6-8-12)14-9-15-10-16-14/h5-10,13,17H,1-4H2,(H,15,16).
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide?
N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]cyclopentanesulfonamide is sourced from PubChem (CID 91956301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).