4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide

C26H23Cl2FN4O4S — CID 164877774

IUPAC4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide
SMILESCN(C)C(=O)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c(F)c2)cc1
InChIInChI=1S/C26H23Cl2FN4O4S/c1-33(2)26(35)16-5-3-15(4-6-16)11-12-30-25(34)17-7-10-22(20(29)13-17)38(36,37)32-21-9-8-18(27)23-19(28)14-31-24(21)23/h3-10,13-14,31-32H,11-12H2,1-2H3,(H,30,34)
InChIKeyIPZZWROTSOVGCI-UHFFFAOYSA-N
MW577.47 g/mol
LogP5.09
Rot. Bonds8

About 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide

4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide (PubChem CID 164877774) has the molecular formula C26H23Cl2FN4O4S and a molecular weight of 577.47 g/mol. Its IUPAC name is 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide
PubChem CID164877774
Molecular FormulaC26H23Cl2FN4O4S
Molecular Weight577.47 g/mol
Exact Mass576.08
IUPAC Name4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide
SMILESCN(C)C(=O)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c(F)c2)cc1
InChIInChI=1S/C26H23Cl2FN4O4S/c1-33(2)26(35)16-5-3-15(4-6-16)11-12-30-25(34)17-7-10-22(20(29)13-17)38(36,37)32-21-9-8-18(27)23-19(28)14-31-24(21)23/h3-10,13-14,31-32H,11-12H2,1-2H3,(H,30,34)
InChIKeyIPZZWROTSOVGCI-UHFFFAOYSA-N
XLogP5.09
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.47
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-(4-oxo-4-pyrrolidin-1-ylbutyl)benzamide
CID 164877697
4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide
CID 164877854
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-fluorobenzamide
CID 164877763
4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000293
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
2-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]benzenesulfonyl fluoride
CID 175760561
tert-butyl 4-[2-[4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluorophenoxy]ethyl]-4-methylpiperidine-1-carboxylate
CID 164877615
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000902
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
N-[2-(4-fluorophenyl)ethyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26796078

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide?
The IUPAC name of 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide (CID 164877774) is 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide.
What is the SMILES notation for 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide?
The canonical SMILES for 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide is CN(C)C(=O)c1ccc(CCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c(F)c2)cc1.
What is the InChIKey of 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide?
The InChIKey is IPZZWROTSOVGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2FN4O4S/c1-33(2)26(35)16-5-3-15(4-6-16)11-12-30-25(34)17-7-10-22(20(29)13-17)38(36,37)32-21-9-8-18(27)23-19(28)14-31-24(21)23/h3-10,13-14,31-32H,11-12H2,1-2H3,(H,30,34).
What are the key properties of 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide?
4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide has a molecular weight of 577.47 g/mol, XLogP of 5.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 164877774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).