N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide

C10H10ClN3O2S — CID 3243085

IUPACN-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1cnc[nH]1
InChIInChI=1S/C10H10ClN3O2S/c11-9-4-2-1-3-8(9)5-14-17(15,16)10-6-12-7-13-10/h1-4,6-7,14H,5H2,(H,12,13)
InChIKeyOWEBOHWEOIWSEG-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.54
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide

N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 3243085) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID3243085
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC NameN-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Cl)c1cnc[nH]1
InChIInChI=1S/C10H10ClN3O2S/c11-9-4-2-1-3-8(9)5-14-17(15,16)10-6-12-7-13-10/h1-4,6-7,14H,5H2,(H,12,13)
InChIKeyOWEBOHWEOIWSEG-UHFFFAOYSA-N
XLogP1.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide (CID 3243085) is N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide is O=S(=O)(NCc1ccccc1Cl)c1cnc[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is OWEBOHWEOIWSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c11-9-4-2-1-3-8(9)5-14-17(15,16)10-6-12-7-13-10/h1-4,6-7,14H,5H2,(H,12,13).
What are the key properties of N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide?
N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 271.73 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 3243085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).