1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

C16H18N6O5S2 — CID 22204073

IUPAC1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)cn1
InChIInChI=1S/C16H18N6O5S2/c1-3-22-10-14(9-19-22)29(25,26)20-12-4-6-13(7-5-12)28(23,24)21-15-8-16(27-2)18-11-17-15/h4-11,20H,3H2,1-2H3,(H,17,18,21)
InChIKeyDNFASASYMXBWJC-UHFFFAOYSA-N
MW438.49 g/mol
LogP1.30
Rot. Bonds8

About 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (PubChem CID 22204073) has the molecular formula C16H18N6O5S2 and a molecular weight of 438.49 g/mol. Its IUPAC name is 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
PubChem CID22204073
Molecular FormulaC16H18N6O5S2
Molecular Weight438.49 g/mol
Exact Mass438.08
IUPAC Name1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)cn1
InChIInChI=1S/C16H18N6O5S2/c1-3-22-10-14(9-19-22)29(25,26)20-12-4-6-13(7-5-12)28(23,24)21-15-8-16(27-2)18-11-17-15/h4-11,20H,3H2,1-2H3,(H,17,18,21)
InChIKeyDNFASASYMXBWJC-UHFFFAOYSA-N
XLogP1.30
TPSA145.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 19684607
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
4-aminobenzenesulfonamide;4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 174885435
ethyl (E)-4-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 54783018
4-iodo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 1017818
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19683725
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782946
N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-4-propoxybenzamide
CID 5165415
N-(6-methoxy-3-pyridinyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106059980
N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
4-chloro-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 3917847

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (CID 22204073) is 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The InChIKey is DNFASASYMXBWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O5S2/c1-3-22-10-14(9-19-22)29(25,26)20-12-4-6-13(7-5-12)28(23,24)21-15-8-16(27-2)18-11-17-15/h4-11,20H,3H2,1-2H3,(H,17,18,21).
What are the key properties of 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide has a molecular weight of 438.49 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22204073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).