N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide

C20H18Cl2N2O5S2 — CID 71945709

IUPACN-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O5S2/c1-24(31(27,28)17-9-5-15(22)6-10-17)19-13-18(11-12-20(19)29-2)30(25,26)23-16-7-3-14(21)4-8-16/h3-13,23H,1-2H3
InChIKeyICHUWGMHBWFNPF-UHFFFAOYSA-N
MW501.41 g/mol
LogP4.63
Rot. Bonds7

About N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide

N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide (PubChem CID 71945709) has the molecular formula C20H18Cl2N2O5S2 and a molecular weight of 501.41 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
PubChem CID71945709
Molecular FormulaC20H18Cl2N2O5S2
Molecular Weight501.41 g/mol
Exact Mass500.00
IUPAC NameN-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18Cl2N2O5S2/c1-24(31(27,28)17-9-5-15(22)6-10-17)19-13-18(11-12-20(19)29-2)30(25,26)23-16-7-3-14(21)4-8-16/h3-13,23H,1-2H3
InChIKeyICHUWGMHBWFNPF-UHFFFAOYSA-N
XLogP4.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 71945704
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
CID 18590758
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 4647727
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
4-chloro-N-(2,4-dimethoxyphenyl)-N-methylbenzenesulfonamide
CID 99635932
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880647
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
N-[4-[(4-chloro-2,5-dimethoxyphenyl)-methylsulfamoyl]phenyl]acetamide
CID 100501676
4-chloro-N-[3-(hydrazinesulfonyl)-4-methoxyphenyl]-N-methylbenzenesulfonamide
CID 71945594

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide (CID 71945709) is N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide?
The InChIKey is ICHUWGMHBWFNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O5S2/c1-24(31(27,28)17-9-5-15(22)6-10-17)19-13-18(11-12-20(19)29-2)30(25,26)23-16-7-3-14(21)4-8-16/h3-13,23H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide?
N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide has a molecular weight of 501.41 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71945709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).