N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride

C10H19ClN4O2S — CID 120708226

IUPACN-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride
SMILESCl.Cn1nccc1S(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H18N4O2S.ClH/c1-14-10(6-7-12-14)17(15,16)13-9-4-2-8(11)3-5-9;/h6-9,13H,2-5,11H2,1H3;1H
InChIKeyKBAFJNPNYYSZKB-UHFFFAOYSA-N
MW294.81 g/mol
LogP0.39
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride

N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride (PubChem CID 120708226) has the molecular formula C10H19ClN4O2S and a molecular weight of 294.81 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride
PubChem CID120708226
Molecular FormulaC10H19ClN4O2S
Molecular Weight294.81 g/mol
Exact Mass294.09
IUPAC NameN-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride
SMILESCl.Cn1nccc1S(=O)(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H18N4O2S.ClH/c1-14-10(6-7-12-14)17(15,16)13-9-4-2-8(11)3-5-9;/h6-9,13H,2-5,11H2,1H3;1H
InChIKeyKBAFJNPNYYSZKB-UHFFFAOYSA-N
XLogP0.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride (CID 120708226) is N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride is Cl.Cn1nccc1S(=O)(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride?
The InChIKey is KBAFJNPNYYSZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S.ClH/c1-14-10(6-7-12-14)17(15,16)13-9-4-2-8(11)3-5-9;/h6-9,13H,2-5,11H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride?
N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride has a molecular weight of 294.81 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide;hydrochloride is sourced from PubChem (CID 120708226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).