5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide

C12H14ClN3O3S — CID 10425860

IUPAC5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
SMILESCCCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H14ClN3O3S/c1-2-5-15-20(18,19)11-8-6-7(13)3-4-9(8)16-10(11)12(14)17/h3-4,6,15-16H,2,5H2,1H3,(H2,14,17)
InChIKeyHKYLMJRCQQJBOY-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.61
Rot. Bonds5

About 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide

5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide (PubChem CID 10425860) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
PubChem CID10425860
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide
SMILESCCCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H14ClN3O3S/c1-2-5-15-20(18,19)11-8-6-7(13)3-4-9(8)16-10(11)12(14)17/h3-4,6,15-16H,2,5H2,1H3,(H2,14,17)
InChIKeyHKYLMJRCQQJBOY-UHFFFAOYSA-N
XLogP1.61
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide (CID 10425860) is 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide is CCCNS(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide?
The InChIKey is HKYLMJRCQQJBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-2-5-15-20(18,19)11-8-6-7(13)3-4-9(8)16-10(11)12(14)17/h3-4,6,15-16H,2,5H2,1H3,(H2,14,17).
What are the key properties of 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide?
5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide has a molecular weight of 315.78 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(propylsulfamoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 10425860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).