(E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide

C16H17ClN4O3S — CID 66859132

IUPAC(E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide
SMILESCOc1cc2c(ccn2-c2c(/C=C/S(N)(=O)=O)c(C)nn2C)cc1Cl
InChIInChI=1S/C16H17ClN4O3S/c1-10-12(5-7-25(18,22)23)16(20(2)19-10)21-6-4-11-8-13(17)15(24-3)9-14(11)21/h4-9H,1-3H3,(H2,18,22,23)/b7-5+
InChIKeyRLBRINGVURYUQA-FNORWQNLSA-N
MW380.86 g/mol
LogP2.59
Rot. Bonds4

About (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide

(E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide (PubChem CID 66859132) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide
PubChem CID66859132
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC Name(E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide
SMILESCOc1cc2c(ccn2-c2c(/C=C/S(N)(=O)=O)c(C)nn2C)cc1Cl
InChIInChI=1S/C16H17ClN4O3S/c1-10-12(5-7-25(18,22)23)16(20(2)19-10)21-6-4-11-8-13(17)15(24-3)9-14(11)21/h4-9H,1-3H3,(H2,18,22,23)/b7-5+
InChIKeyRLBRINGVURYUQA-FNORWQNLSA-N
XLogP2.59
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide 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 (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide?
The IUPAC name of (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide (CID 66859132) is (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide is COc1cc2c(ccn2-c2c(/C=C/S(N)(=O)=O)c(C)nn2C)cc1Cl.
What is the InChIKey of (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide?
The InChIKey is RLBRINGVURYUQA-FNORWQNLSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c1-10-12(5-7-25(18,22)23)16(20(2)19-10)21-6-4-11-8-13(17)15(24-3)9-14(11)21/h4-9H,1-3H3,(H2,18,22,23)/b7-5+.
What are the key properties of (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide?
(E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide has a molecular weight of 380.86 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[5-(5-chloro-6-methoxyindol-1-yl)-1,3-dimethylpyrazol-4-yl]ethenesulfonamide is sourced from PubChem (CID 66859132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).