2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide

C24H20ClN3O4S — CID 30561207

IUPAC2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C24H20ClN3O4S/c25-17-11-9-16(10-12-17)15-33(31,32)22-13-28(21-8-4-2-6-19(21)22)14-23(29)27-20-7-3-1-5-18(20)24(26)30/h1-13H,14-15H2,(H2,26,30)(H,27,29)
InChIKeyVTJBABDEXYOBFJ-UHFFFAOYSA-N
MW481.96 g/mol
LogP4.01
Rot. Bonds7

About 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide

2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide (PubChem CID 30561207) has the molecular formula C24H20ClN3O4S and a molecular weight of 481.96 g/mol. Its IUPAC name is 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
PubChem CID30561207
Molecular FormulaC24H20ClN3O4S
Molecular Weight481.96 g/mol
Exact Mass481.09
IUPAC Name2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C24H20ClN3O4S/c25-17-11-9-16(10-12-17)15-33(31,32)22-13-28(21-8-4-2-6-19(21)22)14-23(29)27-20-7-3-1-5-18(20)24(26)30/h1-13H,14-15H2,(H2,26,30)(H,27,29)
InChIKeyVTJBABDEXYOBFJ-UHFFFAOYSA-N
XLogP4.01
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide
CID 30559286
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 30292063
N-(4-anilinophenyl)-2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 43958485
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560764
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30292022
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 30561057
methyl 2-[[2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 20911257
2-(3-benzylsulfonylindol-1-yl)-N-(2-chloro-4-methylphenyl)acetamide
CID 30291970
2-(3-benzylsulfonylindol-1-yl)-N-(3,4-dichlorophenyl)acetamide
CID 30558816
N-(4-chloro-2-fluorophenyl)-2-[3-[(2-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292105
N-(2-chloro-4-methylphenyl)-2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292117

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide (CID 30561207) is 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide?
The InChIKey is VTJBABDEXYOBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4S/c25-17-11-9-16(10-12-17)15-33(31,32)22-13-28(21-8-4-2-6-19(21)22)14-23(29)27-20-7-3-1-5-18(20)24(26)30/h1-13H,14-15H2,(H2,26,30)(H,27,29).
What are the key properties of 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide?
2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide has a molecular weight of 481.96 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 30561207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).