5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide

C12H14ClN3O4S — CID 10471920

IUPAC5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
SMILESCN(CCO)S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H14ClN3O4S/c1-16(4-5-17)21(19,20)11-8-6-7(13)2-3-9(8)15-10(11)12(14)18/h2-3,6,15,17H,4-5H2,1H3,(H2,14,18)
InChIKeyBLVSGTTZKWPXGT-UHFFFAOYSA-N
MW331.78 g/mol
LogP0.53
Rot. Bonds5

About 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide

5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide (PubChem CID 10471920) has the molecular formula C12H14ClN3O4S and a molecular weight of 331.78 g/mol. Its IUPAC name is 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
PubChem CID10471920
Molecular FormulaC12H14ClN3O4S
Molecular Weight331.78 g/mol
Exact Mass331.04
IUPAC Name5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide
SMILESCN(CCO)S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C12H14ClN3O4S/c1-16(4-5-17)21(19,20)11-8-6-7(13)2-3-9(8)15-10(11)12(14)18/h2-3,6,15,17H,4-5H2,1H3,(H2,14,18)
InChIKeyBLVSGTTZKWPXGT-UHFFFAOYSA-N
XLogP0.53
TPSA116.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide (CID 10471920) is 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide is CN(CCO)S(=O)(=O)c1c(C(N)=O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide?
The InChIKey is BLVSGTTZKWPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4S/c1-16(4-5-17)21(19,20)11-8-6-7(13)2-3-9(8)15-10(11)12(14)18/h2-3,6,15,17H,4-5H2,1H3,(H2,14,18).
What are the key properties of 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide?
5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide has a molecular weight of 331.78 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-hydroxyethyl(methyl)sulfamoyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 10471920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).