5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide

C15H18ClN3O2S — CID 91629005

IUPAC5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCn1ccnc1C1CC1
InChIInChI=1S/C15H18ClN3O2S/c1-11-2-5-13(16)10-14(11)22(20,21)18-7-9-19-8-6-17-15(19)12-3-4-12/h2,5-6,8,10,12,18H,3-4,7,9H2,1H3
InChIKeyRQXBMFWIZYZSLE-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.70
Rot. Bonds6

About 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide

5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 91629005) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide
PubChem CID91629005
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC Name5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCCn1ccnc1C1CC1
InChIInChI=1S/C15H18ClN3O2S/c1-11-2-5-13(16)10-14(11)22(20,21)18-7-9-19-8-6-17-15(19)12-3-4-12/h2,5-6,8,10,12,18H,3-4,7,9H2,1H3
InChIKeyRQXBMFWIZYZSLE-UHFFFAOYSA-N
XLogP2.70
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide (CID 91629005) is 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCCn1ccnc1C1CC1.
What is the InChIKey of 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is RQXBMFWIZYZSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2S/c1-11-2-5-13(16)10-14(11)22(20,21)18-7-9-19-8-6-17-15(19)12-3-4-12/h2,5-6,8,10,12,18H,3-4,7,9H2,1H3.
What are the key properties of 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide?
5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 339.85 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 91629005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).