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

C13H18N4O2S — CID 62063324

IUPAC1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
SMILESCNC(C)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C13H18N4O2S/c1-10(14-2)11-5-4-6-12(7-11)16-20(18,19)13-8-15-17(3)9-13/h4-10,14,16H,1-3H3
InChIKeyXOMAVBXDEGYFRY-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.50
Rot. Bonds5

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

1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide (PubChem CID 62063324) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
PubChem CID62063324
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
SMILESCNC(C)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C13H18N4O2S/c1-10(14-2)11-5-4-6-12(7-11)16-20(18,19)13-8-15-17(3)9-13/h4-10,14,16H,1-3H3
InChIKeyXOMAVBXDEGYFRY-UHFFFAOYSA-N
XLogP1.50
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001
3-[(1R)-1-(methylamino)propyl]-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 93345301
1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
CID 87027340
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 84595481
N-methyl-3-[(1S)-1-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 97231398
3-[1-(methylamino)ethyl]-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43540299
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
CID 167978269

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide (CID 62063324) is 1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide is CNC(C)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1.
What is the InChIKey of 1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide?
The InChIKey is XOMAVBXDEGYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10(14-2)11-5-4-6-12(7-11)16-20(18,19)13-8-15-17(3)9-13/h4-10,14,16H,1-3H3.
What are the key properties of 1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide?
1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 62063324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).