1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea

C22H17ClF2N4O4S — CID 10164344

IUPAC1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea
SMILESCOc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NS(=O)(=O)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClF2N4O4S/c1-33-21-7-2-12(18-10-13-8-16(24)17(25)11-19(13)27-18)9-20(21)28-34(31,32)29-22(30)26-15-5-3-14(23)4-6-15/h2-11,27-28H,1H3,(H2,26,29,30)
InChIKeyGCAVINCTQXLWSL-UHFFFAOYSA-N
MW506.92 g/mol
LogP5.25
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea

1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea (PubChem CID 10164344) has the molecular formula C22H17ClF2N4O4S and a molecular weight of 506.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea
PubChem CID10164344
Molecular FormulaC22H17ClF2N4O4S
Molecular Weight506.92 g/mol
Exact Mass506.06
IUPAC Name1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea
SMILESCOc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NS(=O)(=O)NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClF2N4O4S/c1-33-21-7-2-12(18-10-13-8-16(24)17(25)11-19(13)27-18)9-20(21)28-34(31,32)29-22(30)26-15-5-3-14(23)4-6-15/h2-11,27-28H,1H3,(H2,26,29,30)
InChIKeyGCAVINCTQXLWSL-UHFFFAOYSA-N
XLogP5.25
TPSA112.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.92
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea with MolForge

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Related Compounds

1-(3,5-dichlorophenyl)-3-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]urea
CID 10226585
methyl 4-[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyanilino]benzoate;hydrochloride
CID 10275328
6-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]hexyl carbamate
CID 91235800
5-(5,6-difluoro-1H-indol-2-yl)-2-methoxy-N-[3-(trifluoromethyl)phenyl]aniline;hydrochloride
CID 10297914
1-[3-(5-chloro-1H-indol-2-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 46380914
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521474
1-(3-fluoro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774461
2-(3,4-dimethoxyphenyl)-N-[4-(5-fluoro-1H-indol-2-yl)phenyl]acetamide
CID 46334526
N-[5-[(3,4-difluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514306
1-(2,4-difluorophenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381076
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008
methyl 4-[[3-(5-fluoro-1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46380934

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea (CID 10164344) is 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea is COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NS(=O)(=O)NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea?
The InChIKey is GCAVINCTQXLWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N4O4S/c1-33-21-7-2-12(18-10-13-8-16(24)17(25)11-19(13)27-18)9-20(21)28-34(31,32)29-22(30)26-15-5-3-14(23)4-6-15/h2-11,27-28H,1H3,(H2,26,29,30).
What are the key properties of 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea?
1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea has a molecular weight of 506.92 g/mol, XLogP of 5.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyphenyl]sulfamoyl]urea is sourced from PubChem (CID 10164344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).