N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide

C8H10N4O2S — CID 106385117

IUPACN-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1ccn[nH]1
InChIInChI=1S/C8H10N4O2S/c13-15(14,8-2-4-10-12-8)11-6-7-1-3-9-5-7/h1-5,9,11H,6H2,(H,10,12)
InChIKeyNYUMQJMRXJDNDG-UHFFFAOYSA-N
MW226.26 g/mol
LogP0.22
Rot. Bonds4

About N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide

N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106385117) 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-5-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106385117
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC NameN-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1ccn[nH]1
InChIInChI=1S/C8H10N4O2S/c13-15(14,8-2-4-10-12-8)11-6-7-1-3-9-5-7/h1-5,9,11H,6H2,(H,10,12)
InChIKeyNYUMQJMRXJDNDG-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-4-sulfonamide
CID 106385116
N-[[4-(dimethylamino)phenyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102692415
N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691685
N-[[4-(3-aminoprop-1-ynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102693801
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692392
N-(pyridazin-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106897420
N-prop-2-enyl-1H-pyrazole-5-sulfonamide
CID 102690992
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627
N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102693334
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139
N-(quinolin-8-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102693228

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 106385117) is N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCc1cc[nH]c1)c1ccn[nH]1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is NYUMQJMRXJDNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c13-15(14,8-2-4-10-12-8)11-6-7-1-3-9-5-7/h1-5,9,11H,6H2,(H,10,12).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-sulfonamide?
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-5-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-5-sulfonamide is sourced from PubChem (CID 106385117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).