4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide

C16H14ClN3O3S — CID 22997783

IUPAC4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(CO)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN3O3S/c17-12-3-1-11(2-4-12)16-19-13(10-21)9-20(16)14-5-7-15(8-6-14)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23)
InChIKeyQIXNDKDHBHZKRL-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.33
Rot. Bonds4

About 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide

4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 22997783) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID22997783
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2cc(CO)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN3O3S/c17-12-3-1-11(2-4-12)16-19-13(10-21)9-20(16)14-5-7-15(8-6-14)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23)
InChIKeyQIXNDKDHBHZKRL-UHFFFAOYSA-N
XLogP2.33
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide (CID 22997783) is 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2cc(CO)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is QIXNDKDHBHZKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-12-3-1-11(2-4-12)16-19-13(10-21)9-20(16)14-5-7-15(8-6-14)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23).
What are the key properties of 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide?
4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-4-(hydroxymethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 22997783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).