N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide

C14H20N4O2S — CID 62063494

IUPACN-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCCNC(C)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C14H20N4O2S/c1-4-15-11(2)12-6-5-7-13(8-12)17-21(19,20)14-9-16-18(3)10-14/h5-11,15,17H,4H2,1-3H3
InChIKeyUMGGAOVUFOAEKK-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.89
Rot. Bonds6

About N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide

N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 62063494) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
PubChem CID62063494
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
SMILESCCNC(C)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1
InChIInChI=1S/C14H20N4O2S/c1-4-15-11(2)12-6-5-7-13(8-12)17-21(19,20)14-9-16-18(3)10-14/h5-11,15,17H,4H2,1-3H3
InChIKeyUMGGAOVUFOAEKK-UHFFFAOYSA-N
XLogP1.89
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pyrazole-4-sulfonamide
CID 62063324
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
CID 61064761
N,N-diethyl-3-[(1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 86980323
1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrazole-4-sulfonamide
CID 87027340
1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063001
2-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenoxy]acetic acid
CID 61058726
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
4-[3-[(1-methylpyrazol-4-yl)sulfonylamino]phenyl]butanoic acid
CID 167978269

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide (CID 62063494) is N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide is CCNC(C)c1cccc(NS(=O)(=O)c2cnn(C)c2)c1.
What is the InChIKey of N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is UMGGAOVUFOAEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-4-15-11(2)12-6-5-7-13(8-12)17-21(19,20)14-9-16-18(3)10-14/h5-11,15,17H,4H2,1-3H3.
What are the key properties of N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide?
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62063494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).