5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide

C12H14ClN3O2S — CID 142861143

IUPAC5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide
SMILESCC(C)NS(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H14ClN3O2S/c1-6(2)16-19(18)11-8-5-7(13)3-4-9(8)15-10(11)12(14)17/h3-6,15-16H,1-2H3,(H2,14,17)
InChIKeyAUZUGQWDKCCIEK-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.94
Rot. Bonds4

About 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide

5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide (PubChem CID 142861143) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide
PubChem CID142861143
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide
SMILESCC(C)NS(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H14ClN3O2S/c1-6(2)16-19(18)11-8-5-7(13)3-4-9(8)15-10(11)12(14)17/h3-6,15-16H,1-2H3,(H2,14,17)
InChIKeyAUZUGQWDKCCIEK-UHFFFAOYSA-N
XLogP1.94
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide (CID 142861143) is 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide is CC(C)NS(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide?
The InChIKey is AUZUGQWDKCCIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-6(2)16-19(18)11-8-5-7(13)3-4-9(8)15-10(11)12(14)17/h3-6,15-16H,1-2H3,(H2,14,17).
What are the key properties of 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide?
5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide has a molecular weight of 299.78 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-propan-2-ylsulfinamoyl-1H-indole-2-carboxamide is sourced from PubChem (CID 142861143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).