N-cyclopropylsulfonyl-1-methylindole-6-carboxamide

C13H14N2O3S — CID 155553847

IUPACN-cyclopropylsulfonyl-1-methylindole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C13H14N2O3S/c1-15-7-6-9-2-3-10(8-12(9)15)13(16)14-19(17,18)11-4-5-11/h2-3,6-8,11H,4-5H2,1H3,(H,14,16)
InChIKeyHHVUJTNLSZQNBK-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.40
Rot. Bonds3

About N-cyclopropylsulfonyl-1-methylindole-6-carboxamide

N-cyclopropylsulfonyl-1-methylindole-6-carboxamide (PubChem CID 155553847) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-methylindole-6-carboxamide
PubChem CID155553847
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-cyclopropylsulfonyl-1-methylindole-6-carboxamide
SMILESCn1ccc2ccc(C(=O)NS(=O)(=O)C3CC3)cc21
InChIInChI=1S/C13H14N2O3S/c1-15-7-6-9-2-3-10(8-12(9)15)13(16)14-19(17,18)11-4-5-11/h2-3,6-8,11H,4-5H2,1H3,(H,14,16)
InChIKeyHHVUJTNLSZQNBK-UHFFFAOYSA-N
XLogP1.40
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropylsulfonyl-1-methylindole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-methylindole-6-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-methylindole-6-carboxamide (CID 155553847) is N-cyclopropylsulfonyl-1-methylindole-6-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-methylindole-6-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-methylindole-6-carboxamide is Cn1ccc2ccc(C(=O)NS(=O)(=O)C3CC3)cc21.
What is the InChIKey of N-cyclopropylsulfonyl-1-methylindole-6-carboxamide?
The InChIKey is HHVUJTNLSZQNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15-7-6-9-2-3-10(8-12(9)15)13(16)14-19(17,18)11-4-5-11/h2-3,6-8,11H,4-5H2,1H3,(H,14,16).
What are the key properties of N-cyclopropylsulfonyl-1-methylindole-6-carboxamide?
N-cyclopropylsulfonyl-1-methylindole-6-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-methylindole-6-carboxamide is sourced from PubChem (CID 155553847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).