1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

C15H17N5O5S2 — CID 19684607

IUPAC1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cn1
InChIInChI=1S/C15H17N5O5S2/c1-3-20-10-14(9-16-20)27(23,24)18-12-4-6-13(7-5-12)26(21,22)19-15-8-11(2)25-17-15/h4-10,18H,3H2,1-2H3,(H,17,19)
InChIKeyJAWKBAVVVFIRBS-UHFFFAOYSA-N
MW411.47 g/mol
LogP1.80
Rot. Bonds7

About 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide

1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (PubChem CID 19684607) has the molecular formula C15H17N5O5S2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
PubChem CID19684607
Molecular FormulaC15H17N5O5S2
Molecular Weight411.47 g/mol
Exact Mass411.07
IUPAC Name1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cn1
InChIInChI=1S/C15H17N5O5S2/c1-3-20-10-14(9-16-20)27(23,24)18-12-4-6-13(7-5-12)26(21,22)19-15-8-11(2)25-17-15/h4-10,18H,3H2,1-2H3,(H,17,19)
InChIKeyJAWKBAVVVFIRBS-UHFFFAOYSA-N
XLogP1.80
TPSA136.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-ethylpyrazole-4-sulfonamide
CID 19683725
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
1-ethyl-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide
CID 22204073
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
1-ethyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 2730614
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-ethylpyrazole-4-sulfonamide
CID 17263026
N-(3-chloro-4-fluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 6469273
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide (CID 19684607) is 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
The InChIKey is JAWKBAVVVFIRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O5S2/c1-3-20-10-14(9-16-20)27(23,24)18-12-4-6-13(7-5-12)26(21,22)19-15-8-11(2)25-17-15/h4-10,18H,3H2,1-2H3,(H,17,19).
What are the key properties of 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide?
1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide has a molecular weight of 411.47 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 19684607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).