N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C8H10N4O2S — CID 106385116

IUPACN-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1cn[nH]c1
InChIInChI=1S/C8H10N4O2S/c13-15(14,8-5-10-11-6-8)12-4-7-1-2-9-3-7/h1-3,5-6,9,12H,4H2,(H,10,11)
InChIKeyPBILAKFJPUMPJV-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.22
Rot. Bonds4

About N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide

N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106385116) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106385116
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC NameN-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1cn[nH]c1
InChIInChI=1S/C8H10N4O2S/c13-15(14,8-5-10-11-6-8)12-4-7-1-2-9-3-7/h1-3,5-6,9,12H,4H2,(H,10,11)
InChIKeyPBILAKFJPUMPJV-UHFFFAOYSA-N
XLogP0.22
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106385117
N-[[3-(chloromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 65032352
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47372067
N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
4-iodo-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54895455
4-amino-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 61126765
N'-hydroxy-4-[(1H-pyrazol-4-ylsulfonylamino)methyl]benzenecarboximidamide
CID 76939128
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
N-[(2,5-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 63373518
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62050435
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 106385116) is N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCc1cc[nH]c1)c1cn[nH]c1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is PBILAKFJPUMPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c13-15(14,8-5-10-11-6-8)12-4-7-1-2-9-3-7/h1-3,5-6,9,12H,4H2,(H,10,11).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 226.26 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106385116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).