2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide

C10H10ClN3O4S — CID 107651738

IUPAC2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide
SMILESO=c1[nH][nH]c(=O)c2c(NS(=O)(=O)CCCl)cccc12
InChIInChI=1S/C10H10ClN3O4S/c11-4-5-19(17,18)14-7-3-1-2-6-8(7)10(16)13-12-9(6)15/h1-3,14H,4-5H2,(H,12,15)(H,13,16)
InChIKeyMZNWMVOCQDVYIE-UHFFFAOYSA-N
MW303.73 g/mol
LogP0.20
Rot. Bonds4

About 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide

2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide (PubChem CID 107651738) has the molecular formula C10H10ClN3O4S and a molecular weight of 303.73 g/mol. Its IUPAC name is 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide
PubChem CID107651738
Molecular FormulaC10H10ClN3O4S
Molecular Weight303.73 g/mol
Exact Mass303.01
IUPAC Name2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide
SMILESO=c1[nH][nH]c(=O)c2c(NS(=O)(=O)CCCl)cccc12
InChIInChI=1S/C10H10ClN3O4S/c11-4-5-19(17,18)14-7-3-1-2-6-8(7)10(16)13-12-9(6)15/h1-3,14H,4-5H2,(H,12,15)(H,13,16)
InChIKeyMZNWMVOCQDVYIE-UHFFFAOYSA-N
XLogP0.20
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)propane-1-sulfonamide
CID 64592343
4-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)butanamide
CID 60651857
5-(bromoamino)-2,3-dihydrophthalazine-1,4-dione
CID 11586922
2-chloro-N-(2,3-dichlorophenyl)ethanesulfonamide
CID 103609336
5-(hydroxymethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 11521306
1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-naphthalen-1-ylurea
CID 27190754
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-oxobutanamide
CID 21449705
2-chloro-N-[2-(difluoromethylsulfanyl)phenyl]ethanesulfonamide
CID 107650616
5-(1-phenylpropylamino)-2,3-dihydrophthalazine-1,4-dione
CID 43824682
1-butyl-3-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)carbamoyl]-1-methylsulfonylurea
CID 167778120
5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 55110287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide (CID 107651738) is 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide is O=c1[nH][nH]c(=O)c2c(NS(=O)(=O)CCCl)cccc12.
What is the InChIKey of 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide?
The InChIKey is MZNWMVOCQDVYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4S/c11-4-5-19(17,18)14-7-3-1-2-6-8(7)10(16)13-12-9(6)15/h1-3,14H,4-5H2,(H,12,15)(H,13,16).
What are the key properties of 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide?
2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide has a molecular weight of 303.73 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)ethanesulfonamide is sourced from PubChem (CID 107651738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).