N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide

C14H19N3O2S — CID 22205844

IUPACN-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C14H19N3O2S/c1-2-3-10-20(18,19)16-14-7-4-6-13(11-14)12-17-9-5-8-15-17/h4-9,11,16H,2-3,10,12H2,1H3
InChIKeyQMSWEUUOOZHNPN-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.47
Rot. Bonds7

About N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide

N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide (PubChem CID 22205844) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
PubChem CID22205844
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C14H19N3O2S/c1-2-3-10-20(18,19)16-14-7-4-6-13(11-14)12-17-9-5-8-15-17/h4-9,11,16H,2-3,10,12H2,1H3
InChIKeyQMSWEUUOOZHNPN-UHFFFAOYSA-N
XLogP2.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]butane-1-sulfonamide
CID 17376266
3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954530
N-heptyl-3-(pyrazol-1-ylmethyl)aniline
CID 43738861
4-(2-methylpropyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205818
N-(3-aminophenyl)butane-1-sulfonamide
CID 16778445
N-(3-methylsulfonylphenyl)butane-1-sulfonamide
CID 110779460
methyl 2-[[3-(pyrazol-1-ylmethyl)phenyl]sulfamoyl]benzoate
CID 55603773
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036
N-(3-formylphenyl)butane-1-sulfonamide
CID 87474452
ethyl 2-[3-(pyrazol-1-ylmethyl)anilino]propanoate
CID 56805806
4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
CID 54952501
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide (CID 22205844) is N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide?
The InChIKey is QMSWEUUOOZHNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-2-3-10-20(18,19)16-14-7-4-6-13(11-14)12-17-9-5-8-15-17/h4-9,11,16H,2-3,10,12H2,1H3.
What are the key properties of N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide?
N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrazol-1-ylmethyl)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 22205844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).