3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide

C19H24ClN3O6S2 — CID 18590758

IUPAC3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O6S2/c1-22(2)19(24)11-12-21-30(25,26)16-9-10-18(29-4)17(13-16)23(3)31(27,28)15-7-5-14(20)6-8-15/h5-10,13,21H,11-12H2,1-4H3
InChIKeyZTMUBLUSCIMMDR-UHFFFAOYSA-N
MW490.00 g/mol
LogP1.93
Rot. Bonds9

About 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide

3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide (PubChem CID 18590758) has the molecular formula C19H24ClN3O6S2 and a molecular weight of 490.00 g/mol. Its IUPAC name is 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
PubChem CID18590758
Molecular FormulaC19H24ClN3O6S2
Molecular Weight490.00 g/mol
Exact Mass489.08
IUPAC Name3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)N(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H24ClN3O6S2/c1-22(2)19(24)11-12-21-30(25,26)16-9-10-18(29-4)17(13-16)23(3)31(27,28)15-7-5-14(20)6-8-15/h5-10,13,21H,11-12H2,1-4H3
InChIKeyZTMUBLUSCIMMDR-UHFFFAOYSA-N
XLogP1.93
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxybenzenesulfonamide
CID 71945709
3-[[3-[benzenesulfonyl(methyl)amino]-4-methoxyphenyl]sulfonylamino]-N-(2-methoxyethyl)propanamide
CID 71945662
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,6-dimethylphenyl)-4-methoxybenzenesulfonamide
CID 71945704
3-[(3-bromo-4-chlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 106545570
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 9182964
N-benzyl-3-[[4-methoxy-3-[methyl(methylsulfonyl)amino]phenyl]sulfonylamino]propanamide
CID 44654174
3-[(4-chlorophenyl)sulfonylamino]-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 17225707
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480885
3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide
CID 100829067
3-[(4-chlorophenyl)sulfonylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24548654
4-chloro-N-(2,4-dimethoxyphenyl)-N-methylbenzenesulfonamide
CID 99635932

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide (CID 18590758) is 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide is COc1ccc(S(=O)(=O)NCCC(=O)N(C)C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide?
The InChIKey is ZTMUBLUSCIMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O6S2/c1-22(2)19(24)11-12-21-30(25,26)16-9-10-18(29-4)17(13-16)23(3)31(27,28)15-7-5-14(20)6-8-15/h5-10,13,21H,11-12H2,1-4H3.
What are the key properties of 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide?
3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide has a molecular weight of 490.00 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methoxyphenyl]sulfonylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 18590758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).