N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide

C10H17N3O2S — CID 102691651

IUPACN-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1ccn[nH]1
InChIInChI=1S/C10H17N3O2S/c14-16(15,10-6-7-11-13-10)12-8-9-4-2-1-3-5-9/h6-7,9,12H,1-5,8H2,(H,11,13)
InChIKeyMSGUXDDOSNRBCJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.27
Rot. Bonds4

About N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide

N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102691651) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102691651
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC1CCCCC1)c1ccn[nH]1
InChIInChI=1S/C10H17N3O2S/c14-16(15,10-6-7-11-13-10)12-8-9-4-2-1-3-5-9/h6-7,9,12H,1-5,8H2,(H,11,13)
InChIKeyMSGUXDDOSNRBCJ-UHFFFAOYSA-N
XLogP1.27
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 102692335
N-[(3-methylcyclopentyl)methyl]-1H-pyrazole-5-sulfonamide
CID 107414868
N-[(3-hydroxycyclobutyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693146
N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692871
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 107297786
N-[(1,1-dioxothiolan-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102692339
N-[(5-oxopyrrolidin-2-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693077
N-cyclooctyl-1H-pyrazole-5-sulfonamide
CID 102691484
N-cycloheptyl-1H-pyrazole-5-sulfonamide
CID 102691549
N-(2-amino-1-cyclohexylethyl)-1H-pyrazole-5-sulfonamide
CID 102690413
N-[(1S,2S)-2-hydroxycyclohexyl]-1H-pyrazole-5-sulfonamide
CID 102739144
N-[2-(oxolan-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692344

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide (CID 102691651) is N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCC1CCCCC1)c1ccn[nH]1.
What is the InChIKey of N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is MSGUXDDOSNRBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c14-16(15,10-6-7-11-13-10)12-8-9-4-2-1-3-5-9/h6-7,9,12H,1-5,8H2,(H,11,13).
What are the key properties of N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide?
N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).