3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol

C15H21N3O3S — CID 164621506

IUPAC3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol
SMILESCCc1nc(C)cn1C(CO)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H21N3O3S/c1-3-15-17-11(2)8-18(15)13(9-19)10-22(20,21)14-6-4-12(16)5-7-14/h4-8,13,19H,3,9-10,16H2,1-2H3
InChIKeyVBLNRDGPKDPQSM-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.34
Rot. Bonds6

About 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol

3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol (PubChem CID 164621506) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol
PubChem CID164621506
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol
SMILESCCc1nc(C)cn1C(CO)CS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C15H21N3O3S/c1-3-15-17-11(2)8-18(15)13(9-19)10-22(20,21)14-6-4-12(16)5-7-14/h4-8,13,19H,3,9-10,16H2,1-2H3
InChIKeyVBLNRDGPKDPQSM-UHFFFAOYSA-N
XLogP1.34
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol (CID 164621506) is 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol is CCc1nc(C)cn1C(CO)CS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol?
The InChIKey is VBLNRDGPKDPQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-3-15-17-11(2)8-18(15)13(9-19)10-22(20,21)14-6-4-12(16)5-7-14/h4-8,13,19H,3,9-10,16H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol?
3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol has a molecular weight of 323.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)sulfonyl-2-(2-ethyl-4-methylimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 164621506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).