N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide

C18H18ClN3O2S — CID 100614881

IUPACN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)Nc2nccn2Cc2ccccc2Cl)c1
InChIInChI=1S/C18H18ClN3O2S/c1-2-14-6-5-8-16(12-14)25(23,24)21-18-20-10-11-22(18)13-15-7-3-4-9-17(15)19/h3-12H,2,13H2,1H3,(H,20,21)
InChIKeyUWWIIPVBQRSFQV-UHFFFAOYSA-N
MW375.88 g/mol
LogP3.95
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide

N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide (PubChem CID 100614881) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide
PubChem CID100614881
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC NameN-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)Nc2nccn2Cc2ccccc2Cl)c1
InChIInChI=1S/C18H18ClN3O2S/c1-2-14-6-5-8-16(12-14)25(23,24)21-18-20-10-11-22(18)13-15-7-3-4-9-17(15)19/h3-12H,2,13H2,1H3,(H,20,21)
InChIKeyUWWIIPVBQRSFQV-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide (CID 100614881) is N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide is CCc1cccc(S(=O)(=O)Nc2nccn2Cc2ccccc2Cl)c1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide?
The InChIKey is UWWIIPVBQRSFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-2-14-6-5-8-16(12-14)25(23,24)21-18-20-10-11-22(18)13-15-7-3-4-9-17(15)19/h3-12H,2,13H2,1H3,(H,20,21).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide?
N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]-3-ethylbenzenesulfonamide is sourced from PubChem (CID 100614881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).