N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

C23H23ClN2O4S — CID 27852892

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-25(16-20-11-12-22(30-20)17-7-9-19(24)10-8-17)23(27)18-5-4-6-21(15-18)31(28,29)26-13-2-3-14-26/h4-12,15H,2-3,13-14,16H2,1H3
InChIKeyWQXDVMIUKVLPTL-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.66
Rot. Bonds6

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 27852892) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID27852892
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-25(16-20-11-12-22(30-20)17-7-9-19(24)10-8-17)23(27)18-5-4-6-21(15-18)31(28,29)26-13-2-3-14-26/h4-12,15H,2-3,13-14,16H2,1H3
InChIKeyWQXDVMIUKVLPTL-UHFFFAOYSA-N
XLogP4.66
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26250316
N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27827308
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 9226975
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
3-[(2-chlorophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 4807457
N-benzyl-3-(4-benzylpiperazin-1-yl)sulfonyl-N-methylbenzamide
CID 39230100
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-chloro-4-hydroxy-N-methylbenzamide
CID 18271169
3-(azepan-1-ylsulfonyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 31213484
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 27852892) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is WQXDVMIUKVLPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-25(16-20-11-12-22(30-20)17-7-9-19(24)10-8-17)23(27)18-5-4-6-21(15-18)31(28,29)26-13-2-3-14-26/h4-12,15H,2-3,13-14,16H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 458.97 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27852892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).