N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide

C9H15N3O3S — CID 102691559

IUPACN-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccn[nH]1
InChIInChI=1S/C9H15N3O3S/c13-8-3-1-7(2-4-8)12-16(14,15)9-5-6-10-11-9/h5-8,12-13H,1-4H2,(H,10,11)
InChIKeyHBRNCNVKLGUZEM-UHFFFAOYSA-N
MW245.30 g/mol
LogP-0.01
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide

N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691559) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691559
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccn[nH]1
InChIInChI=1S/C9H15N3O3S/c13-8-3-1-7(2-4-8)12-16(14,15)9-5-6-10-11-9/h5-8,12-13H,1-4H2,(H,10,11)
InChIKeyHBRNCNVKLGUZEM-UHFFFAOYSA-N
XLogP-0.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide (CID 102691559) is N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NC1CCC(O)CC1)c1ccn[nH]1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is HBRNCNVKLGUZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c13-8-3-1-7(2-4-8)12-16(14,15)9-5-6-10-11-9/h5-8,12-13H,1-4H2,(H,10,11).
What are the key properties of N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide?
N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 245.30 g/mol, XLogP of -0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).