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

C15H21N3O2S — CID 22207734

IUPAC4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C15H21N3O2S/c1-3-4-5-13-6-8-15(9-7-13)21(19,20)16-12-14-10-11-18(2)17-14/h6-11,16H,3-5,12H2,1-2H3
InChIKeyVPRFUHJCNOEAPO-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.24
Rot. Bonds7

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

4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 22207734) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID22207734
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCCCCc1ccc(S(=O)(=O)NCc2ccn(C)n2)cc1
InChIInChI=1S/C15H21N3O2S/c1-3-4-5-13-6-8-15(9-7-13)21(19,20)16-12-14-10-11-18(2)17-14/h6-11,16H,3-5,12H2,1-2H3
InChIKeyVPRFUHJCNOEAPO-UHFFFAOYSA-N
XLogP2.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
4-(ethylaminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873365
4-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82873625
3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881548
N-[(1-methylpyrazol-3-yl)methyl]propane-1-sulfonamide
CID 82875252
N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 22207761
3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106546637
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881991
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
N-(1,3-benzodioxol-5-ylmethyl)-4-butylbenzenesulfonamide
CID 19680671
3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 22207734) is 4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is CCCCc1ccc(S(=O)(=O)NCc2ccn(C)n2)cc1.
What is the InChIKey of 4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is VPRFUHJCNOEAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-4-5-13-6-8-15(9-7-13)21(19,20)16-12-14-10-11-18(2)17-14/h6-11,16H,3-5,12H2,1-2H3.
What are the key properties of 4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 22207734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).