N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide

C29H23ClN2O3S — CID 30554059

IUPACN-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23ClN2O3S/c30-23-15-17-24(18-16-23)36(34,35)27-19-32(26-14-8-7-13-25(26)27)20-28(33)31-29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-19,29H,20H2,(H,31,33)
InChIKeyRMAWVWIIPPEIAV-UHFFFAOYSA-N
MW515.03 g/mol
LogP6.03
Rot. Bonds7

About N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide

N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide (PubChem CID 30554059) has the molecular formula C29H23ClN2O3S and a molecular weight of 515.03 g/mol. Its IUPAC name is N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
PubChem CID30554059
Molecular FormulaC29H23ClN2O3S
Molecular Weight515.03 g/mol
Exact Mass514.11
IUPAC NameN-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H23ClN2O3S/c30-23-15-17-24(18-16-23)36(34,35)27-19-32(26-14-8-7-13-25(26)27)20-28(33)31-29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-19,29H,20H2,(H,31,33)
InChIKeyRMAWVWIIPPEIAV-UHFFFAOYSA-N
XLogP6.03
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.03
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16935862
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-morpholin-4-ylacetamide
CID 16935813
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935809
1-(azepan-1-yl)-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]ethanone
CID 16935724
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
2-[3-(benzenesulfonyl)indol-1-yl]-N-[5-(diethylamino)pentan-2-yl]acetamide
CID 16935358
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2141324
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide (CID 30554059) is N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide is O=C(Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is RMAWVWIIPPEIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23ClN2O3S/c30-23-15-17-24(18-16-23)36(34,35)27-19-32(26-14-8-7-13-25(26)27)20-28(33)31-29(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-19,29H,20H2,(H,31,33).
What are the key properties of N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide?
N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 515.03 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 30554059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).