3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide

C11H12ClN3O3S — CID 82921140

IUPAC3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C11H12ClN3O3S/c12-10-7-9(19(13,16)17)1-2-11(10)18-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H2,13,16,17)
InChIKeyKFIICKHABXGQJC-UHFFFAOYSA-N
MW301.75 g/mol
LogP1.26
Rot. Bonds5

About 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide

3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide (PubChem CID 82921140) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.75 g/mol. Its IUPAC name is 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide
PubChem CID82921140
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.75 g/mol
Exact Mass301.03
IUPAC Name3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C11H12ClN3O3S/c12-10-7-9(19(13,16)17)1-2-11(10)18-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H2,13,16,17)
InChIKeyKFIICKHABXGQJC-UHFFFAOYSA-N
XLogP1.26
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide (CID 82921140) is 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide is NS(=O)(=O)c1ccc(OCCn2ccnc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide?
The InChIKey is KFIICKHABXGQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c12-10-7-9(19(13,16)17)1-2-11(10)18-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2,(H2,13,16,17).
What are the key properties of 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide?
3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide has a molecular weight of 301.75 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-imidazol-1-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 82921140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).