4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide

C15H20ClN3O2S — CID 24863649

IUPAC4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1[nH]nc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC
InChIInChI=1S/C15H20ClN3O2S/c1-4-13-14(5-2)17-18-15(13)10(3)19-22(20,21)12-8-6-11(16)7-9-12/h6-10,19H,4-5H2,1-3H3,(H,17,18)
InChIKeyUXXJDSVDRHSHCY-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.23
Rot. Bonds6

About 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide

4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 24863649) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide
PubChem CID24863649
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide
SMILESCCc1[nH]nc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC
InChIInChI=1S/C15H20ClN3O2S/c1-4-13-14(5-2)17-18-15(13)10(3)19-22(20,21)12-8-6-11(16)7-9-12/h6-10,19H,4-5H2,1-3H3,(H,17,18)
InChIKeyUXXJDSVDRHSHCY-UHFFFAOYSA-N
XLogP3.23
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,6S)-5-(4-chlorophenyl)sulfonyl-4,6-diethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46236732
12-(4-Chlorophenyl)sulfonyl-3-methyl-4,5,12-triazatricyclo[6.3.1.02,6]dodeca-2,5-diene
CID 16045312
5-(4-Chlorophenylsulfonyl)-6-isopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 16730475
4-chloro-N-[1-(4,5-diethyl-1,2-thiazol-3-yl)ethyl]benzenesulfonamide
CID 24863831
N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866894
(6S)-5-(4-chlorophenyl)sulfonyl-6-ethyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 46884457
4-[1-(4-chlorophenyl)ethyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 72547907
4-[(4-chloro-2-fluorophenyl)methylidene]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 86580703
4-(1-(4-chlorophenyl)ethylidene)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 86580705
4-[(4-chlorophenyl)methylidene]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 86580706
4-((4-Chlorophenyl)fluoromethylene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580862
4-((4-Chloro-3-fluorophenyl)fluoromethylene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 86580866

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide (CID 24863649) is 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide is CCc1[nH]nc(C(C)NS(=O)(=O)c2ccc(Cl)cc2)c1CC.
What is the InChIKey of 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is UXXJDSVDRHSHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-4-13-14(5-2)17-18-15(13)10(3)19-22(20,21)12-8-6-11(16)7-9-12/h6-10,19H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 341.86 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4,5-diethyl-1H-pyrazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 24863649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).