2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide

C20H20Cl3N3O3S — CID 1262101

IUPAC2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide
SMILESCc1[nH]c2c(Cl)cccc2c1CCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C20H20Cl3N3O3S/c1-11-12(13-5-4-6-15(21)19(13)25-11)7-8-24-20(27)14-9-18(17(23)10-16(14)22)30(28,29)26(2)3/h4-6,9-10,25H,7-8H2,1-3H3,(H,24,27)
InChIKeyCFBUWVCUMBTSRP-UHFFFAOYSA-N
MW488.82 g/mol
LogP4.66
Rot. Bonds6

About 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide

2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide (PubChem CID 1262101) has the molecular formula C20H20Cl3N3O3S and a molecular weight of 488.82 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide
PubChem CID1262101
Molecular FormulaC20H20Cl3N3O3S
Molecular Weight488.82 g/mol
Exact Mass487.03
IUPAC Name2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide
SMILESCc1[nH]c2c(Cl)cccc2c1CCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl
InChIInChI=1S/C20H20Cl3N3O3S/c1-11-12(13-5-4-6-15(21)19(13)25-11)7-8-24-20(27)14-9-18(17(23)10-16(14)22)30(28,29)26(2)3/h4-6,9-10,25H,7-8H2,1-3H3,(H,24,27)
InChIKeyCFBUWVCUMBTSRP-UHFFFAOYSA-N
XLogP4.66
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.82
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 102125235
N-butyl-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4917995
3-chloro-N-[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 44624444
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
2,4-dichloro-5-(dimethylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 1259983
N-[2-(1-adamantyl)ethyl]-2,4-dichloro-5-(dimethylsulfamoyl)benzamide
CID 4919001
2,4-dichloro-5-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-phenylethyl)benzamide
CID 16763255
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
(2-methyl-1,3-benzoxazol-7-yl) N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]carbamate
CID 68621490
7-chloro-2-methyl-N-propyl-1H-indole-3-carboxamide
CID 65335287
N-[2-(7-bromo-2-methyl-1H-indol-3-yl)ethyl]-5-chloro-1H-indole-2-carboxamide
CID 59173231
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide (CID 1262101) is 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide is Cc1[nH]c2c(Cl)cccc2c1CCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide?
The InChIKey is CFBUWVCUMBTSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl3N3O3S/c1-11-12(13-5-4-6-15(21)19(13)25-11)7-8-24-20(27)14-9-18(17(23)10-16(14)22)30(28,29)26(2)3/h4-6,9-10,25H,7-8H2,1-3H3,(H,24,27).
What are the key properties of 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide?
2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide has a molecular weight of 488.82 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(7-chloro-2-methyl-1H-indol-3-yl)ethyl]-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 1262101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).