N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide

C20H23N3O4S — CID 3145434

IUPACN-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)Cn1ccnc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23N3O4S/c1-16-21-12-13-22(16)14-17(24)15-23(19-10-6-7-11-20(19)27-2)28(25,26)18-8-4-3-5-9-18/h3-13,17,24H,14-15H2,1-2H3
InChIKeyHZSKYPCMDGWLPC-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.46
Rot. Bonds8

About N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide

N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 3145434) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID3145434
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1N(CC(O)Cn1ccnc1C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23N3O4S/c1-16-21-12-13-22(16)14-17(24)15-23(19-10-6-7-11-20(19)27-2)28(25,26)18-8-4-3-5-9-18/h3-13,17,24H,14-15H2,1-2H3
InChIKeyHZSKYPCMDGWLPC-UHFFFAOYSA-N
XLogP2.46
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide (CID 3145434) is N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1N(CC(O)Cn1ccnc1C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is HZSKYPCMDGWLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-16-21-12-13-22(16)14-17(24)15-23(19-10-6-7-11-20(19)27-2)28(25,26)18-8-4-3-5-9-18/h3-13,17,24H,14-15H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide?
N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylimidazol-1-yl)propyl]-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 3145434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).