N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C23H23ClN2O4S — CID 27646633

IUPACN-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-26(20-10-12-21(30-2)13-11-20)31(28,29)22-5-3-4-18(16-22)23(27)25-15-14-17-6-8-19(24)9-7-17/h3-13,16H,14-15H2,1-2H3,(H,25,27)
InChIKeyFAGWHKRYKXMHFF-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.15
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 27646633) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID27646633
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-26(20-10-12-21(30-2)13-11-20)31(28,29)22-5-3-4-18(16-22)23(27)25-15-14-17-6-8-19(24)9-7-17/h3-13,16H,14-15H2,1-2H3,(H,25,27)
InChIKeyFAGWHKRYKXMHFF-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2435577
N-(3-aminopropyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119407187
N-(3-aminobutyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 119497549
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43002495
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280
N-[(2-fluorophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 31138593

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 27646633) is N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is FAGWHKRYKXMHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-26(20-10-12-21(30-2)13-11-20)31(28,29)22-5-3-4-18(16-22)23(27)25-15-14-17-6-8-19(24)9-7-17/h3-13,16H,14-15H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 458.97 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 27646633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).