1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide

C12H16N4O4S2 — CID 55903082

IUPAC1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(C)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H16N4O4S2/c1-9(10-4-3-5-11(6-10)21(13,17)18)15-22(19,20)12-7-14-16(2)8-12/h3-9,15H,1-2H3,(H2,13,17,18)
InChIKeyZCDTVZIIGRYSHH-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.11
Rot. Bonds5

About 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide

1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide (PubChem CID 55903082) has the molecular formula C12H16N4O4S2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
PubChem CID55903082
Molecular FormulaC12H16N4O4S2
Molecular Weight344.42 g/mol
Exact Mass344.06
IUPAC Name1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(C)c1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C12H16N4O4S2/c1-9(10-4-3-5-11(6-10)21(13,17)18)15-22(19,20)12-7-14-16(2)8-12/h3-9,15H,1-2H3,(H2,13,17,18)
InChIKeyZCDTVZIIGRYSHH-UHFFFAOYSA-N
XLogP0.11
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-difluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51278324
3-[1-[(4-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 51249256
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
2,3,5,6-tetramethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 51249257
N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 97231398
3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
3-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 104955799
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
methyl 2-[(1-methylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 62116326
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 18096876
N-[1-(3-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51249276
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide (CID 55903082) is 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cnn(C)c1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is ZCDTVZIIGRYSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4S2/c1-9(10-4-3-5-11(6-10)21(13,17)18)15-22(19,20)12-7-14-16(2)8-12/h3-9,15H,1-2H3,(H2,13,17,18).
What are the key properties of 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide?
1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 344.42 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 55903082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).