5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane

C19H20Cl2N2O4S2 — CID 159593175

IUPAC5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane
SMILESC.CN(C)S(=O)(=O)c1cccc2c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C18H16Cl2N2O4S2.CH4/c1-22(2)28(25,26)18-8-4-5-15-16(18)6-3-7-17(15)21-27(23,24)14-10-12(19)9-13(20)11-14;/h3-11,21H,1-2H3;1H4
InChIKeyMKMNXENQVRSEDI-UHFFFAOYSA-N
MW475.42 g/mol
LogP4.83
Rot. Bonds5

About 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane

5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane (PubChem CID 159593175) has the molecular formula C19H20Cl2N2O4S2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane
PubChem CID159593175
Molecular FormulaC19H20Cl2N2O4S2
Molecular Weight475.42 g/mol
Exact Mass474.02
IUPAC Name5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane
SMILESC.CN(C)S(=O)(=O)c1cccc2c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc12
InChIInChI=1S/C18H16Cl2N2O4S2.CH4/c1-22(2)28(25,26)18-8-4-5-15-16(18)6-3-7-17(15)21-27(23,24)14-10-12(19)9-13(20)11-14;/h3-11,21H,1-2H3;1H4
InChIKeyMKMNXENQVRSEDI-UHFFFAOYSA-N
XLogP4.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane?
The IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane (CID 159593175) is 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane?
The canonical SMILES for 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane is C.CN(C)S(=O)(=O)c1cccc2c(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cccc12.
What is the InChIKey of 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane?
The InChIKey is MKMNXENQVRSEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4S2.CH4/c1-22(2)28(25,26)18-8-4-5-15-16(18)6-3-7-17(15)21-27(23,24)14-10-12(19)9-13(20)11-14;/h3-11,21H,1-2H3;1H4.
What are the key properties of 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane?
5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane has a molecular weight of 475.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)sulfonylamino]-N,N-dimethylnaphthalene-1-sulfonamide;methane is sourced from PubChem (CID 159593175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).