1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide

C14H16ClN5O2S — CID 177376338

IUPAC1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide
SMILESCn1cc(Cl)c2cccc(NS(=O)(=O)c3cnn(CCN)c3)c21
InChIInChI=1S/C14H16ClN5O2S/c1-19-9-12(15)11-3-2-4-13(14(11)19)18-23(21,22)10-7-17-20(8-10)6-5-16/h2-4,7-9,18H,5-6,16H2,1H3
InChIKeyITPOLHVNEJMBRK-UHFFFAOYSA-N
MW353.84 g/mol
LogP1.79
Rot. Bonds5

About 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide (PubChem CID 177376338) has the molecular formula C14H16ClN5O2S and a molecular weight of 353.84 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide
PubChem CID177376338
Molecular FormulaC14H16ClN5O2S
Molecular Weight353.84 g/mol
Exact Mass353.07
IUPAC Name1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide
SMILESCn1cc(Cl)c2cccc(NS(=O)(=O)c3cnn(CCN)c3)c21
InChIInChI=1S/C14H16ClN5O2S/c1-19-9-12(15)11-3-2-4-13(14(11)19)18-23(21,22)10-7-17-20(8-10)6-5-16/h2-4,7-9,18H,5-6,16H2,1H3
InChIKeyITPOLHVNEJMBRK-UHFFFAOYSA-N
XLogP1.79
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide (CID 177376338) is 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide is Cn1cc(Cl)c2cccc(NS(=O)(=O)c3cnn(CCN)c3)c21.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is ITPOLHVNEJMBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2S/c1-19-9-12(15)11-3-2-4-13(14(11)19)18-23(21,22)10-7-17-20(8-10)6-5-16/h2-4,7-9,18H,5-6,16H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide has a molecular weight of 353.84 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 177376338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).