5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride

C22H19ClN2O4S2 — CID 71401329

IUPAC5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3cccc4c(S(=O)(=O)Cl)cccc34)cccc12
InChIInChI=1S/C22H19ClN2O4S2/c1-25(2)20-12-4-10-18-16(20)8-6-14-22(18)31(28,29)24-19-11-3-9-17-15(19)7-5-13-21(17)30(23,26)27/h3-14,24H,1-2H3
InChIKeyNVTRAILFGPTQQG-UHFFFAOYSA-N
MW474.99 g/mol
LogP4.79
Rot. Bonds5

About 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride

5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride (PubChem CID 71401329) has the molecular formula C22H19ClN2O4S2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
PubChem CID71401329
Molecular FormulaC22H19ClN2O4S2
Molecular Weight474.99 g/mol
Exact Mass474.05
IUPAC Name5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3cccc4c(S(=O)(=O)Cl)cccc34)cccc12
InChIInChI=1S/C22H19ClN2O4S2/c1-25(2)20-12-4-10-18-16(20)8-6-14-22(18)31(28,29)24-19-11-3-9-17-15(19)7-5-13-21(17)30(23,26)27/h3-14,24H,1-2H3
InChIKeyNVTRAILFGPTQQG-UHFFFAOYSA-N
XLogP4.79
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.99
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3348052
N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride
CID 160685371
5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide
CID 122149480
5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
CID 5187282
2-aminophenol;5-(dimethylamino)naphthalene-1-sulfonyl chloride
CID 175398117
N-(6-chloro-3-pyridinyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 11792960
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983
2-[3-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691274
[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]boronic acid
CID 15345457
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
N-[2-(dimethylamino)phenyl]-2-methylbenzenesulfonamide
CID 63903277

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride?
The IUPAC name of 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride (CID 71401329) is 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride?
The canonical SMILES for 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride is CN(C)c1cccc2c(S(=O)(=O)Nc3cccc4c(S(=O)(=O)Cl)cccc34)cccc12.
What is the InChIKey of 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride?
The InChIKey is NVTRAILFGPTQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4S2/c1-25(2)20-12-4-10-18-16(20)8-6-14-22(18)31(28,29)24-19-11-3-9-17-15(19)7-5-13-21(17)30(23,26)27/h3-14,24H,1-2H3.
What are the key properties of 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride?
5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride has a molecular weight of 474.99 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 71401329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).