N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide

C20H22ClN3O2S — CID 18126056

IUPACN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(c2ccc(Cl)cc2)c2nccn2C)c(C)c1
InChIInChI=1S/C20H22ClN3O2S/c1-14-5-10-18(15(2)13-14)27(25,26)24(4)19(20-22-11-12-23(20)3)16-6-8-17(21)9-7-16/h5-13,19H,1-4H3
InChIKeyODQTUOUUYPFRLW-UHFFFAOYSA-N
MW403.94 g/mol
LogP4.10
Rot. Bonds5

About N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide (PubChem CID 18126056) has the molecular formula C20H22ClN3O2S and a molecular weight of 403.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide
PubChem CID18126056
Molecular FormulaC20H22ClN3O2S
Molecular Weight403.94 g/mol
Exact Mass403.11
IUPAC NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(c2ccc(Cl)cc2)c2nccn2C)c(C)c1
InChIInChI=1S/C20H22ClN3O2S/c1-14-5-10-18(15(2)13-14)27(25,26)24(4)19(20-22-11-12-23(20)3)16-6-8-17(21)9-7-16/h5-13,19H,1-4H3
InChIKeyODQTUOUUYPFRLW-UHFFFAOYSA-N
XLogP4.10
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide (CID 18126056) is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(c2ccc(Cl)cc2)c2nccn2C)c(C)c1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide?
The InChIKey is ODQTUOUUYPFRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2S/c1-14-5-10-18(15(2)13-14)27(25,26)24(4)19(20-22-11-12-23(20)3)16-6-8-17(21)9-7-16/h5-13,19H,1-4H3.
What are the key properties of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide?
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide has a molecular weight of 403.94 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-N,2,4-trimethylbenzenesulfonamide is sourced from PubChem (CID 18126056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).