N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide

C13H18N4O2S — CID 60824964

IUPACN-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(CNC)cc2)cn1
InChIInChI=1S/C13H18N4O2S/c1-3-17-10-12(9-15-17)16-20(18,19)13-6-4-11(5-7-13)8-14-2/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyQLZQKPXSFGCMDY-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.42
Rot. Bonds6

About N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide

N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide (PubChem CID 60824964) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
PubChem CID60824964
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide
SMILESCCn1cc(NS(=O)(=O)c2ccc(CNC)cc2)cn1
InChIInChI=1S/C13H18N4O2S/c1-3-17-10-12(9-15-17)16-20(18,19)13-6-4-11(5-7-13)8-14-2/h4-7,9-10,14,16H,3,8H2,1-2H3
InChIKeyQLZQKPXSFGCMDY-UHFFFAOYSA-N
XLogP1.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-ethylpyrazol-4-yl)-4-hydrazinylbenzenesulfonamide
CID 43543964
4-[(1-ethylpyrazol-4-yl)sulfamoyl]benzoic acid
CID 43430297
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 39836918
3-bromo-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 71991658
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400
3-amino-N-(1-ethylpyrazol-4-yl)-4,5-dimethylbenzenesulfonamide
CID 43543231
N-(1-ethylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31913122
3-(aminomethyl)-N-(1-ethylpyrazol-4-yl)-4-fluorobenzenesulfonamide
CID 63287880
N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60824032
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-4-butan-2-ylbenzenesulfonamide
CID 22205303

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide (CID 60824964) is N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide is CCn1cc(NS(=O)(=O)c2ccc(CNC)cc2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide?
The InChIKey is QLZQKPXSFGCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-3-17-10-12(9-15-17)16-20(18,19)13-6-4-11(5-7-13)8-14-2/h4-7,9-10,14,16H,3,8H2,1-2H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide?
N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-4-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 60824964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).