N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide

C23H24ClNO6S — CID 2316867

IUPACN-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C23H24ClNO6S/c1-28-19-11-5-15(13-21(19)30-3)23(16-6-12-20(29-2)22(14-16)31-4)25-32(26,27)18-9-7-17(24)8-10-18/h5-14,23,25H,1-4H3
InChIKeyOPPWVBPGCZCJBH-UHFFFAOYSA-N
MW477.97 g/mol
LogP4.44
Rot. Bonds9

About N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide

N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide (PubChem CID 2316867) has the molecular formula C23H24ClNO6S and a molecular weight of 477.97 g/mol. Its IUPAC name is N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide
PubChem CID2316867
Molecular FormulaC23H24ClNO6S
Molecular Weight477.97 g/mol
Exact Mass477.10
IUPAC NameN-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide
SMILESCOc1ccc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C23H24ClNO6S/c1-28-19-11-5-15(13-21(19)30-3)23(16-6-12-20(29-2)22(14-16)31-4)25-32(26,27)18-9-7-17(24)8-10-18/h5-14,23,25H,1-4H3
InChIKeyOPPWVBPGCZCJBH-UHFFFAOYSA-N
XLogP4.44
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.97
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
N-[(S)-(4-chlorophenyl)-(3,4-difluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 134952581
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3,4-dimethoxyphenyl)ethanamine
CID 9167712
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645866
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 43886103
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)propyl]benzenesulfonamide
CID 22772279
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245

Frequently Asked Questions

What is the IUPAC name of N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide (CID 2316867) is N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide is COc1ccc(C(NS(=O)(=O)c2ccc(Cl)cc2)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide?
The InChIKey is OPPWVBPGCZCJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO6S/c1-28-19-11-5-15(13-21(19)30-3)23(16-6-12-20(29-2)22(14-16)31-4)25-32(26,27)18-9-7-17(24)8-10-18/h5-14,23,25H,1-4H3.
What are the key properties of N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide?
N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide has a molecular weight of 477.97 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(3,4-dimethoxyphenyl)methyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2316867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).