N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide

C13H16ClN3O2S — CID 91956031

IUPACN-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCCn1ncc2c(Cl)cccc21
InChIInChI=1S/C13H16ClN3O2S/c1-2-9-20(18,19)16-7-4-8-17-13-6-3-5-12(14)11(13)10-15-17/h2-3,5-6,10,16H,1,4,7-9H2
InChIKeyPIDDGNXNYLBTNU-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.19
Rot. Bonds7

About N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide

N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide (PubChem CID 91956031) has the molecular formula C13H16ClN3O2S and a molecular weight of 313.81 g/mol. Its IUPAC name is N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide
PubChem CID91956031
Molecular FormulaC13H16ClN3O2S
Molecular Weight313.81 g/mol
Exact Mass313.07
IUPAC NameN-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide
SMILESC=CCS(=O)(=O)NCCCn1ncc2c(Cl)cccc21
InChIInChI=1S/C13H16ClN3O2S/c1-2-9-20(18,19)16-7-4-8-17-13-6-3-5-12(14)11(13)10-15-17/h2-3,5-6,10,16H,1,4,7-9H2
InChIKeyPIDDGNXNYLBTNU-UHFFFAOYSA-N
XLogP2.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylindazol-6-yl)butane-1-sulfonamide
CID 70689295
N-(3-chloro-4-methylphenyl)-1-ethylpyrazole-4-sulfonamide
CID 6465101
N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 6466638
N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 155511242
N-(5-chloro-2-methylphenyl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 6468093
N-(5-chloro-2-methylphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6470599
N-tert-butyl-3-(4-chloroindazol-1-yl)propanamide
CID 52002879
N-[3-(4-methylindazol-1-yl)propyl]ethanesulfonamide
CID 56731648
N-[3-(4-chloro-1H-indazol-1-yl)propyl]-2-methylpropanamide
CID 56731688
6-Chloro-2-ethylindazole
CID 10856090
4-Chloro-1-methyl-1H-indazole
CID 19083150
1-(o-Chlorobenzyl) indazole
CID 20425685

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide?
The IUPAC name of N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide (CID 91956031) is N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide?
The canonical SMILES for N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide is C=CCS(=O)(=O)NCCCn1ncc2c(Cl)cccc21.
What is the InChIKey of N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide?
The InChIKey is PIDDGNXNYLBTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S/c1-2-9-20(18,19)16-7-4-8-17-13-6-3-5-12(14)11(13)10-15-17/h2-3,5-6,10,16H,1,4,7-9H2.
What are the key properties of N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide?
N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide has a molecular weight of 313.81 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 91956031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).