N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide

C10H17N3O4S — CID 91786203

IUPACN-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cnn1C
InChIInChI=1S/C10H17N3O4S/c1-7-10(5-11-13(7)2)18(15,16)12-8-3-4-17-6-9(8)14/h5,8-9,12,14H,3-4,6H2,1-2H3/t8-,9-/m1/s1
InChIKeyGTBRAFKCUSPYFW-RKDXNWHRSA-N
MW275.33 g/mol
LogP-0.84
Rot. Bonds3

About N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide

N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 91786203) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID91786203
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC NameN-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cnn1C
InChIInChI=1S/C10H17N3O4S/c1-7-10(5-11-13(7)2)18(15,16)12-8-3-4-17-6-9(8)14/h5,8-9,12,14H,3-4,6H2,1-2H3/t8-,9-/m1/s1
InChIKeyGTBRAFKCUSPYFW-RKDXNWHRSA-N
XLogP-0.84
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide (CID 91786203) is N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N[C@@H]2CCOC[C@H]2O)cnn1C.
What is the InChIKey of N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is GTBRAFKCUSPYFW-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-7-10(5-11-13(7)2)18(15,16)12-8-3-4-17-6-9(8)14/h5,8-9,12,14H,3-4,6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-hydroxyoxan-4-yl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 91786203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).