N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

C14H13ClN4O3S — CID 53175990

IUPACN-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCn1ncn2cc(S(=O)(=O)Nc3cccc(Cl)c3)cc2c1=O
InChIInChI=1S/C14H13ClN4O3S/c1-2-19-14(20)13-7-12(8-18(13)9-16-19)23(21,22)17-11-5-3-4-10(15)6-11/h3-9,17H,2H2,1H3
InChIKeyVCWCIHZTDZGPEX-UHFFFAOYSA-N
MW352.80 g/mol
LogP1.97
Rot. Bonds4

About N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide

N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (PubChem CID 53175990) has the molecular formula C14H13ClN4O3S and a molecular weight of 352.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
PubChem CID53175990
Molecular FormulaC14H13ClN4O3S
Molecular Weight352.80 g/mol
Exact Mass352.04
IUPAC NameN-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
SMILESCCn1ncn2cc(S(=O)(=O)Nc3cccc(Cl)c3)cc2c1=O
InChIInChI=1S/C14H13ClN4O3S/c1-2-19-14(20)13-7-12(8-18(13)9-16-19)23(21,22)17-11-5-3-4-10(15)6-11/h3-9,17H,2H2,1H3
InChIKeyVCWCIHZTDZGPEX-UHFFFAOYSA-N
XLogP1.97
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.80
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175986
N-(4-chlorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176251
N-(3-chlorophenyl)-3-ethyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100722674
N-(3,4-dimethylphenyl)-2-ethyl-4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176107
N-(4-methoxyphenyl)-2-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53175950
N-(3-chlorophenyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62144333
2,4-diethyl-N-(4-fluoro-3-methylphenyl)-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176262
1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
N-(3-chlorophenyl)-4-pentylbenzenesulfonamide
CID 3741817
N-(3-chlorophenyl)-4-iodobenzenesulfonamide
CID 3419372
N-(3,5-difluorophenyl)-2,4-diethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide
CID 53176255
N-(3-chlorophenyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzenesulfonamide
CID 16644480

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide (CID 53175990) is N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is CCn1ncn2cc(S(=O)(=O)Nc3cccc(Cl)c3)cc2c1=O.
What is the InChIKey of N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
The InChIKey is VCWCIHZTDZGPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3S/c1-2-19-14(20)13-7-12(8-18(13)9-16-19)23(21,22)17-11-5-3-4-10(15)6-11/h3-9,17H,2H2,1H3.
What are the key properties of N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide?
N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide has a molecular weight of 352.80 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-ethyl-1-oxopyrrolo[1,2-d][1,2,4]triazine-7-sulfonamide is sourced from PubChem (CID 53175990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).