N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide

C9H15N3O3S — CID 102739144

IUPACN-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O3S/c13-8-4-2-1-3-7(8)12-16(14,15)9-5-6-10-11-9/h5-8,12-13H,1-4H2,(H,10,11)/t7-,8-/m0/s1
InChIKeyGYUFGEMVJZHDBZ-YUMQZZPRSA-N
MW245.30 g/mol
LogP-0.01
Rot. Bonds3

About N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide

N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102739144) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide
PubChem CID102739144
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccn[nH]1
InChIInChI=1S/C9H15N3O3S/c13-8-4-2-1-3-7(8)12-16(14,15)9-5-6-10-11-9/h5-8,12-13H,1-4H2,(H,10,11)/t7-,8-/m0/s1
InChIKeyGYUFGEMVJZHDBZ-YUMQZZPRSA-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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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106364162
N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-[2-(bromomethyl)cyclopentyl]-1H-pyrazole-5-sulfonamide
CID 106367494
N-(2-methylcyclopropyl)-1H-pyrazole-5-sulfonamide
CID 102692944
N-(4-bromocyclohexyl)-1H-pyrazole-5-sulfonamide
CID 102694021
4-(1H-pyrazol-5-ylsulfonylamino)oxolane-3-carboxylic acid
CID 102690864
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
CID 102691651
5-[(2-hydroxycyclohexyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62359993
N-(2,2-dimethylcyclopentyl)-1H-pyrazole-5-sulfonamide
CID 102693183
4-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]benzenesulfonamide
CID 40650403
N-[(1S,2S)-2-hydroxycyclohexyl]-4-methylsulfonylbenzenesulfonamide
CID 104953140

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide (CID 102739144) is N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(N[C@H]1CCCC[C@@H]1O)c1ccn[nH]1.
What is the InChIKey of N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is GYUFGEMVJZHDBZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H15N3O3S/c13-8-4-2-1-3-7(8)12-16(14,15)9-5-6-10-11-9/h5-8,12-13H,1-4H2,(H,10,11)/t7-,8-/m0/s1.
What are the key properties of N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide?
N-[(1S,2S)-2-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-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102739144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).