1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea

C25H26N4O5S2 — CID 58665205

IUPAC1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea
SMILESCN(C)S(=O)(=O)c1ccc2ccc(NC(=O)Nc3ccc4ccc(S(=O)(=O)N(C)C)cc4c3)cc2c1
InChIInChI=1S/C25H26N4O5S2/c1-28(2)35(31,32)23-11-7-17-5-9-21(13-19(17)15-23)26-25(30)27-22-10-6-18-8-12-24(16-20(18)14-22)36(33,34)29(3)4/h5-16H,1-4H3,(H2,26,27,30)
InChIKeyWSGUQJGDKQBLHK-UHFFFAOYSA-N
MW526.64 g/mol
LogP4.14
Rot. Bonds6

About 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea

1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea (PubChem CID 58665205) has the molecular formula C25H26N4O5S2 and a molecular weight of 526.64 g/mol. Its IUPAC name is 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea.

Molecular Properties

Compound Name1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea
PubChem CID58665205
Molecular FormulaC25H26N4O5S2
Molecular Weight526.64 g/mol
Exact Mass526.13
IUPAC Name1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea
SMILESCN(C)S(=O)(=O)c1ccc2ccc(NC(=O)Nc3ccc4ccc(S(=O)(=O)N(C)C)cc4c3)cc2c1
InChIInChI=1S/C25H26N4O5S2/c1-28(2)35(31,32)23-11-7-17-5-9-21(13-19(17)15-23)26-25(30)27-22-10-6-18-8-12-24(16-20(18)14-22)36(33,34)29(3)4/h5-16H,1-4H3,(H2,26,27,30)
InChIKeyWSGUQJGDKQBLHK-UHFFFAOYSA-N
XLogP4.14
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.64
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(dimethylsulfamoyl)phenyl]-3-(4-hydroxyphenyl)urea
CID 122150681
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
sodium;7-acetamidonaphthalene-2-sulfonic acid;hydride
CID 173199207
N-[4-(dimethylsulfamoyl)phenyl]naphthalene-2-sulfonamide
CID 2098625
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
trisodium;3-[[7-[[7-[(3-sulfonatophenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalen-2-yl]sulfonylamino]benzenesulfonate;hydroxide
CID 11491420
1-[4-(dimethylsulfamoyl)phenyl]-3-(4-hydroxybutan-2-yl)urea
CID 146089010
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
N-[3-(dimethylsulfamoyl)phenyl]-4-methylsulfonylbenzamide
CID 9093665
1-[3-(dimethylsulfamoyl)phenyl]-3-(3,5,7-trimethyl-1-adamantyl)urea
CID 3599813
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl(naphthalen-2-yl)amino]propanamide
CID 78732784

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea?
The IUPAC name of 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea (CID 58665205) is 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea.
What is the SMILES notation for 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea?
The canonical SMILES for 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea is CN(C)S(=O)(=O)c1ccc2ccc(NC(=O)Nc3ccc4ccc(S(=O)(=O)N(C)C)cc4c3)cc2c1.
What is the InChIKey of 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea?
The InChIKey is WSGUQJGDKQBLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S2/c1-28(2)35(31,32)23-11-7-17-5-9-21(13-19(17)15-23)26-25(30)27-22-10-6-18-8-12-24(16-20(18)14-22)36(33,34)29(3)4/h5-16H,1-4H3,(H2,26,27,30).
What are the key properties of 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea?
1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea has a molecular weight of 526.64 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[7-(dimethylsulfamoyl)naphthalen-2-yl]urea is sourced from PubChem (CID 58665205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).