2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide

C26H26ClN3O5S — CID 69144153

IUPAC2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)NC(CO)Cc3c[nH]c4ccccc34)c2)cc1Cl
InChIInChI=1S/C26H26ClN3O5S/c1-28-26(32)21-9-7-16(12-22(21)27)17-8-10-24(35-2)25(13-17)36(33,34)30-19(15-31)11-18-14-29-23-6-4-3-5-20(18)23/h3-10,12-14,19,29-31H,11,15H2,1-2H3,(H,28,32)
InChIKeyJIOXNRJYWAXDJP-UHFFFAOYSA-N
MW528.03 g/mol
LogP3.74
Rot. Bonds9

About 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide

2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide (PubChem CID 69144153) has the molecular formula C26H26ClN3O5S and a molecular weight of 528.03 g/mol. Its IUPAC name is 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide
PubChem CID69144153
Molecular FormulaC26H26ClN3O5S
Molecular Weight528.03 g/mol
Exact Mass527.13
IUPAC Name2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)NC(CO)Cc3c[nH]c4ccccc34)c2)cc1Cl
InChIInChI=1S/C26H26ClN3O5S/c1-28-26(32)21-9-7-16(12-22(21)27)17-8-10-24(35-2)25(13-17)36(33,34)30-19(15-31)11-18-14-29-23-6-4-3-5-20(18)23/h3-10,12-14,19,29-31H,11,15H2,1-2H3,(H,28,32)
InChIKeyJIOXNRJYWAXDJP-UHFFFAOYSA-N
XLogP3.74
TPSA120.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.03
LogP ≤ 53.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide (CID 69144153) is 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc(OC)c(S(=O)(=O)NC(CO)Cc3c[nH]c4ccccc34)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide?
The InChIKey is JIOXNRJYWAXDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O5S/c1-28-26(32)21-9-7-16(12-22(21)27)17-8-10-24(35-2)25(13-17)36(33,34)30-19(15-31)11-18-14-29-23-6-4-3-5-20(18)23/h3-10,12-14,19,29-31H,11,15H2,1-2H3,(H,28,32).
What are the key properties of 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide?
2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide has a molecular weight of 528.03 g/mol, XLogP of 3.74, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-[[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]sulfamoyl]-4-methoxyphenyl]-N-methylbenzamide is sourced from PubChem (CID 69144153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).