4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide

C16H15ClN4O2S — CID 3054841

IUPAC4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nccn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN4O2S/c17-15-4-2-1-3-12(15)11-21-10-9-19-16(21)20-24(22,23)14-7-5-13(18)6-8-14/h1-10H,11,18H2,(H,19,20)
InChIKeyDKAMSYJCGJDVNK-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.97
Rot. Bonds5

About 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide

4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide (PubChem CID 3054841) has the molecular formula C16H15ClN4O2S and a molecular weight of 362.84 g/mol. Its IUPAC name is 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide
PubChem CID3054841
Molecular FormulaC16H15ClN4O2S
Molecular Weight362.84 g/mol
Exact Mass362.06
IUPAC Name4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nccn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClN4O2S/c17-15-4-2-1-3-12(15)11-21-10-9-19-16(21)20-24(22,23)14-7-5-13(18)6-8-14/h1-10H,11,18H2,(H,19,20)
InChIKeyDKAMSYJCGJDVNK-UHFFFAOYSA-N
XLogP2.97
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide
CID 100614881
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]acetamide
CID 71931046
1-[(2-chlorophenyl)methyl]imidazol-2-amine
CID 54593550
1-[(2-chlorophenyl)methyl]-2-methylsulfonylimidazole
CID 94696998
3-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]butanamide
CID 119789659
silver 4-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 6711387
bis(4-amino-N-pyrimidin-2-ylbenzenesulfonamide) dichloride
CID 18407969
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015849
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 56791413
2-(2-amino-2-oxoethyl)sulfanyl-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzamide
CID 86958124
N-[(2-chlorophenyl)methyl]-1-ethylimidazol-2-amine
CID 62136767

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide (CID 3054841) is 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2nccn2Cc2ccccc2Cl)cc1.
What is the InChIKey of 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide?
The InChIKey is DKAMSYJCGJDVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2S/c17-15-4-2-1-3-12(15)11-21-10-9-19-16(21)20-24(22,23)14-7-5-13(18)6-8-14/h1-10H,11,18H2,(H,19,20).
What are the key properties of 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide?
4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide has a molecular weight of 362.84 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 3054841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).