3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide

C22H21ClN4O3S — CID 166388584

IUPAC3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1coc(CNS(=O)(=O)c2cccc(Cl)c2NCc2cccc(-n3ccnc3)c2)c1
InChIInChI=1S/C22H21ClN4O3S/c1-16-10-19(30-14-16)13-26-31(28,29)21-7-3-6-20(23)22(21)25-12-17-4-2-5-18(11-17)27-9-8-24-15-27/h2-11,14-15,25-26H,12-13H2,1H3
InChIKeyRXMJNBZIXBCEMF-UHFFFAOYSA-N
MW456.96 g/mol
LogP4.52
Rot. Bonds8

About 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide

3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 166388584) has the molecular formula C22H21ClN4O3S and a molecular weight of 456.96 g/mol. Its IUPAC name is 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID166388584
Molecular FormulaC22H21ClN4O3S
Molecular Weight456.96 g/mol
Exact Mass456.10
IUPAC Name3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1coc(CNS(=O)(=O)c2cccc(Cl)c2NCc2cccc(-n3ccnc3)c2)c1
InChIInChI=1S/C22H21ClN4O3S/c1-16-10-19(30-14-16)13-26-31(28,29)21-7-3-6-20(23)22(21)25-12-17-4-2-5-18(11-17)27-9-8-24-15-27/h2-11,14-15,25-26H,12-13H2,1H3
InChIKeyRXMJNBZIXBCEMF-UHFFFAOYSA-N
XLogP4.52
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)methanesulfonamide
CID 71997551
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 99951065
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide
CID 39622822
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
4-fluoro-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylbenzenesulfonamide
CID 95176032
1-(3-imidazol-1-ylphenyl)propan-2-one
CID 82607597
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 43910093
1-[3-(bromomethyl)phenyl]imidazole;hydrobromide
CID 72710327
3-chloro-2-methyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide
CID 90569758
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide (CID 166388584) is 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1coc(CNS(=O)(=O)c2cccc(Cl)c2NCc2cccc(-n3ccnc3)c2)c1.
What is the InChIKey of 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is RXMJNBZIXBCEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3S/c1-16-10-19(30-14-16)13-26-31(28,29)21-7-3-6-20(23)22(21)25-12-17-4-2-5-18(11-17)27-9-8-24-15-27/h2-11,14-15,25-26H,12-13H2,1H3.
What are the key properties of 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide?
3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 456.96 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-imidazol-1-ylphenyl)methylamino]-N-[(4-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 166388584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).