N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide

C14H18ClN3O2S — CID 91956205

IUPACN-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide
SMILESC=C(C)CS(=O)(=O)NCCCn1ncc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3O2S/c1-11(2)10-21(19,20)17-6-3-7-18-14-8-13(15)5-4-12(14)9-16-18/h4-5,8-9,17H,1,3,6-7,10H2,2H3
InChIKeyVYPQROAJYRAXMT-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.58
Rot. Bonds7

About N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide

N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide (PubChem CID 91956205) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide
PubChem CID91956205
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide
SMILESC=C(C)CS(=O)(=O)NCCCn1ncc2ccc(Cl)cc21
InChIInChI=1S/C14H18ClN3O2S/c1-11(2)10-21(19,20)17-6-3-7-18-14-8-13(15)5-4-12(14)9-16-18/h4-5,8-9,17H,1,3,6-7,10H2,2H3
InChIKeyVYPQROAJYRAXMT-UHFFFAOYSA-N
XLogP2.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.58
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-(5-chloro-2-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914766
1-(5-Chloro-3-methyl-pyrazol-1-ylmethanesulfonyl)-3-(1,2,5,6-tetrahydro-pyridin-3-yl)-1H-indole
CID 44403096
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
US11787780, Example 142
CID 166916284
1-[(4-Chlorophenyl)methyl]indazole
CID 12312271
N-[3-(4-methylindazol-1-yl)propyl]ethanesulfonamide
CID 56731648
Indazole derivative 2
CID 121326386
6-Chloro-2-ethylindazole
CID 10856090
6-chloro-2-methyl-2H-indazole
CID 10899063

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide?
The IUPAC name of N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide (CID 91956205) is N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide.
What is the SMILES notation for N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide?
The canonical SMILES for N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide is C=C(C)CS(=O)(=O)NCCCn1ncc2ccc(Cl)cc21.
What is the InChIKey of N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide?
The InChIKey is VYPQROAJYRAXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-11(2)10-21(19,20)17-6-3-7-18-14-8-13(15)5-4-12(14)9-16-18/h4-5,8-9,17H,1,3,6-7,10H2,2H3.
What are the key properties of N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide?
N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide is sourced from PubChem (CID 91956205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).