N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C15H15ClN4O4S — CID 53175986

IUPACN-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCn1ncn2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC)cc2c1=O
InChIInChI=1S/C15H15ClN4O4S/c1-3-20-15(21)13-7-11(8-19(13)9-17-20)25(22,23)18-12-6-10(16)4-5-14(12)24-2/h4-9,18H,3H2,1-2H3
InChIKeyIRQSMNJRTRNFAR-UHFFFAOYSA-N
MW382.83 g/mol
LogP1.98
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53175986) has the molecular formula C15H15ClN4O4S and a molecular weight of 382.83 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53175986
Molecular FormulaC15H15ClN4O4S
Molecular Weight382.83 g/mol
Exact Mass382.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCn1ncn2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC)cc2c1=O
InChIInChI=1S/C15H15ClN4O4S/c1-3-20-15(21)13-7-11(8-19(13)9-17-20)25(22,23)18-12-6-10(16)4-5-14(12)24-2/h4-9,18H,3H2,1-2H3
InChIKeyIRQSMNJRTRNFAR-UHFFFAOYSA-N
XLogP1.98
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 106059592
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53175986) is N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCn1ncn2cc(S(=O)(=O)Nc3cc(Cl)ccc3OC)cc2c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is IRQSMNJRTRNFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O4S/c1-3-20-15(21)13-7-11(8-19(13)9-17-20)25(22,23)18-12-6-10(16)4-5-14(12)24-2/h4-9,18H,3H2,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 382.83 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53175986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).