N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C14H25N3O3S — CID 97355117

IUPACN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)C1CCCCC1
InChIInChI=1S/C14H25N3O3S/c1-10-14(11(2)17(3)16-10)21(19,20)15-9-13(18)12-7-5-4-6-8-12/h12-13,15,18H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyYVEJHMXPBSXBHN-ZDUSSCGKSA-N
MW315.44 g/mol
LogP1.26
Rot. Bonds5

About N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 97355117) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID97355117
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)C1CCCCC1
InChIInChI=1S/C14H25N3O3S/c1-10-14(11(2)17(3)16-10)21(19,20)15-9-13(18)12-7-5-4-6-8-12/h12-13,15,18H,4-9H2,1-3H3/t13-/m0/s1
InChIKeyYVEJHMXPBSXBHN-ZDUSSCGKSA-N
XLogP1.26
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 97355117) is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H](O)C1CCCCC1.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is YVEJHMXPBSXBHN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-10-14(11(2)17(3)16-10)21(19,20)15-9-13(18)12-7-5-4-6-8-12/h12-13,15,18H,4-9H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 97355117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).