N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide

C10H17N3O3S — CID 106126673

IUPACN-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCC(O)CC1)c1cn[nH]c1
InChIInChI=1S/C10H17N3O3S/c14-9-3-1-8(2-4-9)5-13-17(15,16)10-6-11-12-7-10/h6-9,13-14H,1-5H2,(H,11,12)
InChIKeyFJGTZYJGWMXXKA-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.24
Rot. Bonds4

About N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide

N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 106126673) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID106126673
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1CCC(O)CC1)c1cn[nH]c1
InChIInChI=1S/C10H17N3O3S/c14-9-3-1-8(2-4-9)5-13-17(15,16)10-6-11-12-7-10/h6-9,13-14H,1-5H2,(H,11,12)
InChIKeyFJGTZYJGWMXXKA-UHFFFAOYSA-N
XLogP0.24
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-sulfonamide
CID 107420200
N-[[2-(bromomethyl)cyclohexyl]methyl]-1H-pyrazole-4-sulfonamide
CID 114295398
N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 125444048
N-[(1-propylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 122567194
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 131915211
N-[(3-hydroxycyclopentyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114148556
N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 171675219
N-(1-cyclopropylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 63995174
N-(4-ethylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61354875
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 131935929
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide (CID 106126673) is N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC1CCC(O)CC1)c1cn[nH]c1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FJGTZYJGWMXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c14-9-3-1-8(2-4-9)5-13-17(15,16)10-6-11-12-7-10/h6-9,13-14H,1-5H2,(H,11,12).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106126673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).