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

C12H16N4O2S — CID 82882484

IUPAC4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccc(CN)cc2)n1
InChIInChI=1S/C12H16N4O2S/c1-16-7-6-11(15-16)9-14-19(17,18)12-4-2-10(8-13)3-5-12/h2-7,14H,8-9,13H2,1H3
InChIKeyXAYXTYIXKOHRDX-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.36
Rot. Bonds5

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

4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 82882484) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID82882484
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccc(CN)cc2)n1
InChIInChI=1S/C12H16N4O2S/c1-16-7-6-11(15-16)9-14-19(17,18)12-4-2-10(8-13)3-5-12/h2-7,14H,8-9,13H2,1H3
InChIKeyXAYXTYIXKOHRDX-UHFFFAOYSA-N
XLogP0.36
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365
4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207734
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881548
5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106076457
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106546637
3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695
3-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872977
3-bromo-4-methoxy-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872635
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 82882484) is 4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1ccc(CNS(=O)(=O)c2ccc(CN)cc2)n1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is XAYXTYIXKOHRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-7-6-11(15-16)9-14-19(17,18)12-4-2-10(8-13)3-5-12/h2-7,14H,8-9,13H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 82882484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).