4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide

C15H18ClN3O2S — CID 3054828

IUPAC4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccn1C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-17-10-11-19(15)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,17,18)
InChIKeyMROXBNGIKKGTNP-UHFFFAOYSA-N
MW339.85 g/mol
LogP3.84
Rot. Bonds4

About 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide

4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide (PubChem CID 3054828) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide
PubChem CID3054828
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1nccn1C1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-17-10-11-19(15)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,17,18)
InChIKeyMROXBNGIKKGTNP-UHFFFAOYSA-N
XLogP3.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide (CID 3054828) is 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide is O=S(=O)(Nc1nccn1C1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide?
The InChIKey is MROXBNGIKKGTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-17-10-11-19(15)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,17,18).
What are the key properties of 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide?
4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclohexylimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3054828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).