N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide

C14H18N4O2S — CID 61274374

IUPACN-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(CN2CCCC2)c1)c1cn[nH]c1
InChIInChI=1S/C14H18N4O2S/c19-21(20,14-9-15-16-10-14)17-13-5-3-4-12(8-13)11-18-6-1-2-7-18/h3-5,8-10,17H,1-2,6-7,11H2,(H,15,16)
InChIKeyOARJTNWZDIRZRA-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.81
Rot. Bonds5

About N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide

N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61274374) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID61274374
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc(CN2CCCC2)c1)c1cn[nH]c1
InChIInChI=1S/C14H18N4O2S/c19-21(20,14-9-15-16-10-14)17-13-5-3-4-12(8-13)11-18-6-1-2-7-18/h3-5,8-10,17H,1-2,6-7,11H2,(H,15,16)
InChIKeyOARJTNWZDIRZRA-UHFFFAOYSA-N
XLogP1.81
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
N-(3-methylsulfonylphenyl)-1H-pyrazole-4-sulfonamide
CID 47267601
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840
N-[4-(aminomethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936916
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-4-sulfonamide
CID 60933682
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-sulfonamide
CID 47267959
N-[3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-sulfonamide
CID 61250480
3-chloro-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-1-sulfonamide
CID 60959543
N-(3,4-difluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60912012
1-(2-methylpropyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]imidazole-4-sulfonamide
CID 167991524
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47372669

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 61274374) is N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cccc(CN2CCCC2)c1)c1cn[nH]c1.
What is the InChIKey of N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is OARJTNWZDIRZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c19-21(20,14-9-15-16-10-14)17-13-5-3-4-12(8-13)11-18-6-1-2-7-18/h3-5,8-10,17H,1-2,6-7,11H2,(H,15,16).
What are the key properties of N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide?
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61274374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).