N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide

C23H24ClNO5S — CID 56728698

IUPACN-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CC(NS(=O)(=O)c2cc(Cl)ccc2OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24ClNO5S/c1-28-19-9-4-16(5-10-19)14-21(17-6-11-20(29-2)12-7-17)25-31(26,27)23-15-18(24)8-13-22(23)30-3/h4-13,15,21,25H,14H2,1-3H3
InChIKeyKZNYTIAHNTUTEA-UHFFFAOYSA-N
MW461.97 g/mol
LogP4.63
Rot. Bonds9

About N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide

N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide (PubChem CID 56728698) has the molecular formula C23H24ClNO5S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
PubChem CID56728698
Molecular FormulaC23H24ClNO5S
Molecular Weight461.97 g/mol
Exact Mass461.11
IUPAC NameN-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CC(NS(=O)(=O)c2cc(Cl)ccc2OC)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H24ClNO5S/c1-28-19-9-4-16(5-10-19)14-21(17-6-11-20(29-2)12-7-17)25-31(26,27)23-15-18(24)8-13-22(23)30-3/h4-13,15,21,25H,14H2,1-3H3
InChIKeyKZNYTIAHNTUTEA-UHFFFAOYSA-N
XLogP4.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-phenylethyl]-2-methoxybenzenesulfonamide
CID 56728526
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 40932030
methyl 3-(4-chlorophenyl)-2-[(2,5-dimethoxyphenyl)sulfonylamino]propanoate
CID 3778391
5-chloro-2-methoxy-N-(3-methyl-1-phenylbutyl)benzenesulfonamide
CID 133160729
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-(4-fluorophenyl)propanoic acid
CID 25040131
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 56728673
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542324
N-[(2S)-1-aminopropan-2-yl]-5-chloro-2-methoxybenzenesulfonamide;hydrochloride
CID 120713181

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide?
The IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide (CID 56728698) is N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide is COc1ccc(CC(NS(=O)(=O)c2cc(Cl)ccc2OC)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide?
The InChIKey is KZNYTIAHNTUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO5S/c1-28-19-9-4-16(5-10-19)14-21(17-6-11-20(29-2)12-7-17)25-31(26,27)23-15-18(24)8-13-22(23)30-3/h4-13,15,21,25H,14H2,1-3H3.
What are the key properties of N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide?
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide has a molecular weight of 461.97 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(4-methoxyphenyl)ethyl]-5-chloro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 56728698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).