6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C14H15ClN6O4S2 — CID 14155243

IUPAC6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1nc2ncc(Cl)cn2n1
InChIInChI=1S/C14H15ClN6O4S2/c1-3-20(2)27(24,25)12-7-5-4-6-11(12)19-26(22,23)14-17-13-16-8-10(15)9-21(13)18-14/h4-9,19H,3H2,1-2H3
InChIKeyZWRUSMDJKMOBDX-UHFFFAOYSA-N
MW430.90 g/mol
LogP1.22
Rot. Bonds6

About 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 14155243) has the molecular formula C14H15ClN6O4S2 and a molecular weight of 430.90 g/mol. Its IUPAC name is 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID14155243
Molecular FormulaC14H15ClN6O4S2
Molecular Weight430.90 g/mol
Exact Mass430.03
IUPAC Name6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1nc2ncc(Cl)cn2n1
InChIInChI=1S/C14H15ClN6O4S2/c1-3-20(2)27(24,25)12-7-5-4-6-11(12)19-26(22,23)14-17-13-16-8-10(15)9-21(13)18-14/h4-9,19H,3H2,1-2H3
InChIKeyZWRUSMDJKMOBDX-UHFFFAOYSA-N
XLogP1.22
TPSA126.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.90
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 14155243) is 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is CCN(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1nc2ncc(Cl)cn2n1.
What is the InChIKey of 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is ZWRUSMDJKMOBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O4S2/c1-3-20(2)27(24,25)12-7-5-4-6-11(12)19-26(22,23)14-17-13-16-8-10(15)9-21(13)18-14/h4-9,19H,3H2,1-2H3.
What are the key properties of 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 430.90 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[ethyl(methyl)sulfamoyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 14155243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).