N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide

C13H17N3O2S — CID 61061450

IUPACN-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H17N3O2S/c1-2-8-19(17,18)15-13-9-14-16(11-13)10-12-6-4-3-5-7-12/h3-7,9,11,15H,2,8,10H2,1H3
InChIKeyJBVDLSNCYITCPI-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.08
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide

N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide (PubChem CID 61061450) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
PubChem CID61061450
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H17N3O2S/c1-2-8-19(17,18)15-13-9-14-16(11-13)10-12-6-4-3-5-7-12/h3-7,9,11,15H,2,8,10H2,1H3
InChIKeyJBVDLSNCYITCPI-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
CID 83092889
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
CID 22201754
1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide
CID 113227843
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide
CID 17376266
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propane-1-sulfonamide
CID 95741340
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1-phenylmethanesulfonamide
CID 3863910
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024
1-benzyl-N-octylpyrazol-4-amine
CID 63451849
1-benzyl-N-heptylpyrazol-4-amine
CID 63451804
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide (CID 61061450) is N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide?
The InChIKey is JBVDLSNCYITCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-8-19(17,18)15-13-9-14-16(11-13)10-12-6-4-3-5-7-12/h3-7,9,11,15H,2,8,10H2,1H3.
What are the key properties of N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide?
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 61061450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).