N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C8H6ClN5O4S — CID 102989917

IUPACN-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2nccnc2Cl)c(=O)[nH]1
InChIInChI=1S/C8H6ClN5O4S/c9-5-6(11-2-1-10-5)14-19(17,18)4-3-12-8(16)13-7(4)15/h1-3H,(H,11,14)(H2,12,13,15,16)
InChIKeyKKGZZNCGCCDCTL-UHFFFAOYSA-N
MW303.69 g/mol
LogP-0.69
Rot. Bonds3

About N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 102989917) has the molecular formula C8H6ClN5O4S and a molecular weight of 303.69 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID102989917
Molecular FormulaC8H6ClN5O4S
Molecular Weight303.69 g/mol
Exact Mass302.98
IUPAC NameN-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2nccnc2Cl)c(=O)[nH]1
InChIInChI=1S/C8H6ClN5O4S/c9-5-6(11-2-1-10-5)14-19(17,18)4-3-12-8(16)13-7(4)15/h1-3H,(H,11,14)(H2,12,13,15,16)
InChIKeyKKGZZNCGCCDCTL-UHFFFAOYSA-N
XLogP-0.69
TPSA137.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 59168167
N-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7244632
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43547502
N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
CID 102990036
N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234
2,5-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 102989905
N-(3-chloro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7253860
N-ethyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 43258966
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-sulfonamide
CID 102990020
2,4-dioxo-N-(4-sulfamoylphenyl)-1H-pyrimidine-5-sulfonamide
CID 43980578
2-chloro-3-(sulfamoylamino)pyrazine
CID 102989841
N-[4-(diethylamino)phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7635718

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 102989917) is N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2nccnc2Cl)c(=O)[nH]1.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is KKGZZNCGCCDCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN5O4S/c9-5-6(11-2-1-10-5)14-19(17,18)4-3-12-8(16)13-7(4)15/h1-3H,(H,11,14)(H2,12,13,15,16).
What are the key properties of N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 303.69 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 102989917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).