1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea

C20H15Cl2N5O3S — CID 53476641

IUPAC1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc23)c1
InChIInChI=1S/C20H15Cl2N5O3S/c21-15-5-2-6-16(22)19(15)25-20(28)24-12-7-8-17-14(10-12)18(27-26-17)11-3-1-4-13(9-11)31(23,29)30/h1-10H,(H,26,27)(H2,23,29,30)(H2,24,25,28)
InChIKeyOESADEJASQKSMP-UHFFFAOYSA-N
MW476.35 g/mol
LogP4.83
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea

1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea (PubChem CID 53476641) has the molecular formula C20H15Cl2N5O3S and a molecular weight of 476.35 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
PubChem CID53476641
Molecular FormulaC20H15Cl2N5O3S
Molecular Weight476.35 g/mol
Exact Mass475.03
IUPAC Name1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea
SMILESNS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc23)c1
InChIInChI=1S/C20H15Cl2N5O3S/c21-15-5-2-6-16(22)19(15)25-20(28)24-12-7-8-17-14(10-12)18(27-26-17)11-3-1-4-13(9-11)31(23,29)30/h1-10H,(H,26,27)(H2,23,29,30)(H2,24,25,28)
InChIKeyOESADEJASQKSMP-UHFFFAOYSA-N
XLogP4.83
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide
CID 67455130
(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67467310
1-benzyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]piperidine-4-carboxamide
CID 67455298
2-(dimethylamino)-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 123333821
3-(5-ethoxy-1H-indazol-3-yl)benzenesulfonamide
CID 71682141
[2-methyl-1-[[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]carbamoyl]-3H-isoindol-1-yl] 2,2,2-trifluoroacetate
CID 123547932
N-benzyl-N-methyl-3-(3-sulfamoylphenyl)-1H-indazole-5-carboxamide
CID 67453604
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683
(1R)-N-[3-(3,4-dichlorophenyl)-1H-indazol-5-yl]-2-phenylcycloprop-2-ene-1-carboxamide
CID 142178941
1-(2,6-diethylphenyl)-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]urea
CID 86710981
3-[3-[(3,5-dichlorobenzoyl)amino]phenyl]-1H-indazole-5-carboxamide
CID 58863539
2-chloro-N-[3-(1H-indazol-3-yl)phenyl]-4-methylsulfonylbenzamide
CID 50914465

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea (CID 53476641) is 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea is NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc23)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea?
The InChIKey is OESADEJASQKSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N5O3S/c21-15-5-2-6-16(22)19(15)25-20(28)24-12-7-8-17-14(10-12)18(27-26-17)11-3-1-4-13(9-11)31(23,29)30/h1-10H,(H,26,27)(H2,23,29,30)(H2,24,25,28).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea?
1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea has a molecular weight of 476.35 g/mol, XLogP of 4.83, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]urea is sourced from PubChem (CID 53476641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).