1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide

C17H17Cl2N3O3S — CID 162220092

IUPAC1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
SMILESCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.Cc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O3S.C7H7Cl/c1-13-18(16,17)9-6-4-5(11)2-3-7(6)14-8(9)10(12)15;1-6-2-4-7(8)5-3-6/h2-4,13-14H,1H3,(H2,12,15);2-5H,1H3
InChIKeyZTZRWTRMEFQHFS-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.48
Rot. Bonds3

About 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide

1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide (PubChem CID 162220092) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
PubChem CID162220092
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide
SMILESCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.Cc1ccc(Cl)cc1
InChIInChI=1S/C10H10ClN3O3S.C7H7Cl/c1-13-18(16,17)9-6-4-5(11)2-3-7(6)14-8(9)10(12)15;1-6-2-4-7(8)5-3-6/h2-4,13-14H,1H3,(H2,12,15);2-5H,1H3
InChIKeyZTZRWTRMEFQHFS-UHFFFAOYSA-N
XLogP3.48
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
CID 10425860
5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 506872
5-chloro-3-(4-chlorophenyl)sulfonyl-1H-indole-2-carboxamide
CID 506869
5-chloro-3-(3-hydroxypropylsulfamoyl)-1H-indole-2-carboxamide
CID 90709499
5-chloro-3-[(3-chlorophenyl)methylsulfamoyl]-1H-indole-2-carboxamide
CID 67375248
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
5-chloro-3-(2-phenylethylsulfamoyl)-1H-indole-2-carboxamide
CID 10068194
3-(4-acetylpiperazin-1-yl)sulfonyl-5-chloro-1H-indole-2-carboxamide
CID 10068626
5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
CID 10471920
5-chloro-3-[methyl(oxan-4-yl)sulfamoyl]-1H-indole-2-carboxamide
CID 10067849
methyl 5-chloro-3-(2,4-dimethylphenyl)sulfonyl-1H-indole-2-carboxylate
CID 11143341
5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 69088329

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide?
The IUPAC name of 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide (CID 162220092) is 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide is CNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide?
The InChIKey is ZTZRWTRMEFQHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S.C7H7Cl/c1-13-18(16,17)9-6-4-5(11)2-3-7(6)14-8(9)10(12)15;1-6-2-4-7(8)5-3-6/h2-4,13-14H,1H3,(H2,12,15);2-5H,1H3.
What are the key properties of 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide?
1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide has a molecular weight of 414.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylbenzene;5-chloro-3-(methylsulfamoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 162220092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).