4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

C14H20N4O2S — CID 82873365

IUPAC4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-15-10-12-4-6-14(7-5-12)21(19,20)16-11-13-8-9-18(2)17-13/h4-9,15-16H,3,10-11H2,1-2H3
InChIKeyFCUCLSKLACGXNN-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.01
Rot. Bonds7

About 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 82873365) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID82873365
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C14H20N4O2S/c1-3-15-10-12-4-6-14(7-5-12)21(19,20)16-11-13-8-9-18(2)17-13/h4-9,15-16H,3,10-11H2,1-2H3
InChIKeyFCUCLSKLACGXNN-UHFFFAOYSA-N
XLogP1.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207734
4-(ethylaminomethyl)-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 60823882
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872869
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106546637
3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881548
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
3-bromo-4-methoxy-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872635

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 82873365) is 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NCc2ccn(C)n2)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is FCUCLSKLACGXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-15-10-12-4-6-14(7-5-12)21(19,20)16-11-13-8-9-18(2)17-13/h4-9,15-16H,3,10-11H2,1-2H3.
What are the key properties of 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 82873365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).