N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide

C7H9N5O3S — CID 103697752

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cn[nH]c2)no1
InChIInChI=1S/C7H9N5O3S/c1-5-11-7(12-15-5)4-10-16(13,14)6-2-8-9-3-6/h2-3,10H,4H2,1H3,(H,8,9)
InChIKeyQGNHUQBMQWHKHA-UHFFFAOYSA-N
MW243.25 g/mol
LogP-0.42
Rot. Bonds4

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 103697752) has the molecular formula C7H9N5O3S and a molecular weight of 243.25 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID103697752
Molecular FormulaC7H9N5O3S
Molecular Weight243.25 g/mol
Exact Mass243.04
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cn[nH]c2)no1
InChIInChI=1S/C7H9N5O3S/c1-5-11-7(12-15-5)4-10-16(13,14)6-2-8-9-3-6/h2-3,10H,4H2,1H3,(H,8,9)
InChIKeyQGNHUQBMQWHKHA-UHFFFAOYSA-N
XLogP-0.42
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
4-(ethylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106402266
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 106405985
5-chloro-6-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-sulfonamide
CID 106407765
3-(aminomethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106410794
3-(hydroxymethyl)-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzenesulfonamide
CID 106410408
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 106402227
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
2-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-4-sulfonamide
CID 114184093
1-ethyl-5-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-3-sulfonamide
CID 106410426
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]naphthalene-1-sulfonamide
CID 103740945
N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 47372067

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 103697752) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is Cc1nc(CNS(=O)(=O)c2cn[nH]c2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QGNHUQBMQWHKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O3S/c1-5-11-7(12-15-5)4-10-16(13,14)6-2-8-9-3-6/h2-3,10H,4H2,1H3,(H,8,9).
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 243.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103697752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).