4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide

C20H17Cl2FN4O4S — CID 164877854

IUPAC4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide
SMILESO=C1CC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c(F)c2)CN1
InChIInChI=1S/C20H17Cl2FN4O4S/c21-12-3-4-15(19-18(12)13(22)9-25-19)27-32(30,31)16-5-1-10(7-14(16)23)20(29)26-11-2-6-17(28)24-8-11/h1,3-5,7,9,11,25,27H,2,6,8H2,(H,24,28)(H,26,29)/t11-/m0/s1
InChIKeyZTRAJOJVRKSJQR-NSHDSACASA-N
MW499.35 g/mol
LogP3.42
Rot. Bonds5

About 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide

4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide (PubChem CID 164877854) has the molecular formula C20H17Cl2FN4O4S and a molecular weight of 499.35 g/mol. Its IUPAC name is 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide
PubChem CID164877854
Molecular FormulaC20H17Cl2FN4O4S
Molecular Weight499.35 g/mol
Exact Mass498.03
IUPAC Name4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide
SMILESO=C1CC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c(F)c2)CN1
InChIInChI=1S/C20H17Cl2FN4O4S/c21-12-3-4-15(19-18(12)13(22)9-25-19)27-32(30,31)16-5-1-10(7-14(16)23)20(29)26-11-2-6-17(28)24-8-11/h1,3-5,7,9,11,25,27H,2,6,8H2,(H,24,28)(H,26,29)/t11-/m0/s1
InChIKeyZTRAJOJVRKSJQR-NSHDSACASA-N
XLogP3.42
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.35
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
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]-N-[2-[4-(dimethylcarbamoyl)phenyl]ethyl]-3-fluorobenzamide
CID 164877774
4-chloro-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 113256480
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-2-fluoro-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 164877708
3-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-fluorobenzamide
CID 164877791
5,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62897928
4-hydrazinyl-3-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662542
N-(6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 62492175
3-[(6-oxopiperidin-3-yl)carbamoyl]benzoic acid
CID 63662325
3-amino-4-methyl-N-(6-oxopiperidin-3-yl)benzamide
CID 63662752
3,6-dichloro-N-(6-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 60616997

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
The IUPAC name of 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide (CID 164877854) is 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide is O=C1CC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)c4c(Cl)c[nH]c34)c(F)c2)CN1.
What is the InChIKey of 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
The InChIKey is ZTRAJOJVRKSJQR-NSHDSACASA-N. The full InChI is InChI=1S/C20H17Cl2FN4O4S/c21-12-3-4-15(19-18(12)13(22)9-25-19)27-32(30,31)16-5-1-10(7-14(16)23)20(29)26-11-2-6-17(28)24-8-11/h1,3-5,7,9,11,25,27H,2,6,8H2,(H,24,28)(H,26,29)/t11-/m0/s1.
What are the key properties of 4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide?
4-[(3,4-dichloro-1H-indol-7-yl)sulfamoyl]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide has a molecular weight of 499.35 g/mol, XLogP of 3.42, 5 rotatable bonds, 4 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]-3-fluoro-N-[(3S)-6-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 164877854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).