4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide

C10H18ClN3O2S — CID 116815471

IUPAC4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)CCCCCl
InChIInChI=1S/C10H18ClN3O2S/c1-10(9-14-7-4-6-12-14)13-17(15,16)8-3-2-5-11/h4,6-7,10,13H,2-3,5,8-9H2,1H3
InChIKeyRLEHSUDNAZDFIY-UHFFFAOYSA-N
MW279.79 g/mol
LogP1.21
Rot. Bonds8

About 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide

4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide (PubChem CID 116815471) has the molecular formula C10H18ClN3O2S and a molecular weight of 279.79 g/mol. Its IUPAC name is 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide
PubChem CID116815471
Molecular FormulaC10H18ClN3O2S
Molecular Weight279.79 g/mol
Exact Mass279.08
IUPAC Name4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide
SMILESCC(Cn1cccn1)NS(=O)(=O)CCCCCl
InChIInChI=1S/C10H18ClN3O2S/c1-10(9-14-7-4-6-12-14)13-17(15,16)8-3-2-5-11/h4,6-7,10,13H,2-3,5,8-9H2,1H3
InChIKeyRLEHSUDNAZDFIY-UHFFFAOYSA-N
XLogP1.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
CID 95027950
1-[3-(aminomethyl)phenyl]-N-(1-pyrazol-1-ylpropan-2-yl)methanesulfonamide
CID 61462630
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
4-chloro-N-(4-hydroxypentan-2-yl)butane-1-sulfonamide
CID 116816469
N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide
CID 95279961
6-cyano-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 115602607
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
(2S,6S)-2,6-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-sulfonamide
CID 100845308
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
4-chloro-N-(3-ethylpentan-2-yl)butane-1-sulfonamide
CID 116816202
2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide
CID 94024873

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide (CID 116815471) is 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide is CC(Cn1cccn1)NS(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide?
The InChIKey is RLEHSUDNAZDFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O2S/c1-10(9-14-7-4-6-12-14)13-17(15,16)8-3-2-5-11/h4,6-7,10,13H,2-3,5,8-9H2,1H3.
What are the key properties of 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide?
4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide has a molecular weight of 279.79 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide is sourced from PubChem (CID 116815471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).