N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide

C12H21N3O3S — CID 102693115

IUPACN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H21N3O3S/c1-2-10-3-6-12(16,7-4-10)9-14-19(17,18)11-5-8-13-15-11/h5,8,10,14,16H,2-4,6-7,9H2,1H3,(H,13,15)
InChIKeyNCBJMGKDNPBPKA-UHFFFAOYSA-N
MW287.38 g/mol
LogP1.02
Rot. Bonds5

About N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693115) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693115
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC NameN-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCCC1CCC(O)(CNS(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C12H21N3O3S/c1-2-10-3-6-12(16,7-4-10)9-14-19(17,18)11-5-8-13-15-11/h5,8,10,14,16H,2-4,6-7,9H2,1H3,(H,13,15)
InChIKeyNCBJMGKDNPBPKA-UHFFFAOYSA-N
XLogP1.02
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 65121361
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 65121845
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpyrazole-3-sulfonamide
CID 104710096
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65119728
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102694095
N-[[1-(chloromethyl)cyclopentyl]methyl]-1H-pyrazole-5-sulfonamide
CID 102694040
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]propane-1-sulfonamide
CID 65121793
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
N-[(3-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 107414868
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
N-[(3-hydroxycyclobutyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693146

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide (CID 102693115) is N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide is CCC1CCC(O)(CNS(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is NCBJMGKDNPBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-2-10-3-6-12(16,7-4-10)9-14-19(17,18)11-5-8-13-15-11/h5,8,10,14,16H,2-4,6-7,9H2,1H3,(H,13,15).
What are the key properties of N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide?
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).