N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide

C19H22ClN3O3S — CID 91956336

IUPACN-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide
SMILESO=S(=O)(CCOCc1ccccc1)NCCCn1ncc2ccc(Cl)cc21
InChIInChI=1S/C19H22ClN3O3S/c20-18-8-7-17-14-21-23(19(17)13-18)10-4-9-22-27(24,25)12-11-26-15-16-5-2-1-3-6-16/h1-3,5-8,13-14,22H,4,9-12,15H2
InChIKeyJSGJPONNWUYCSH-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.22
Rot. Bonds10

About N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide

N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide (PubChem CID 91956336) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide.

Molecular Properties

Compound NameN-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide
PubChem CID91956336
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide
SMILESO=S(=O)(CCOCc1ccccc1)NCCCn1ncc2ccc(Cl)cc21
InChIInChI=1S/C19H22ClN3O3S/c20-18-8-7-17-14-21-23(19(17)13-18)10-4-9-22-27(24,25)12-11-26-15-16-5-2-1-3-6-16/h1-3,5-8,13-14,22H,4,9-12,15H2
InChIKeyJSGJPONNWUYCSH-UHFFFAOYSA-N
XLogP3.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 70561348
Benzyl 6-chloroindazole-1-carboxylate
CID 118940760
N-[[1-[(E)-3-(4-chlorophenyl)-1-cyanopent-1-en-3-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide
CID 142717330
[(4-Chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate
CID 174803652
3-(4-chloroindazol-1-yl)-N-[3-(methoxymethyl)phenyl]propanamide
CID 52002959
1-(2-chlorophenyl)-N-(2-(6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)methanesulfonamide
CID 90615352
1-(3-chlorophenyl)-N-(2-(6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)methanesulfonamide
CID 90615353
1-(4-chlorophenyl)-N-(2-(6,7-dihydropyrano[4,3-c]pyrazol-1(4H)-yl)ethyl)methanesulfonamide
CID 90615354
N-[3-(4-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide
CID 91956031
N-[3-(6-chloroindazol-1-yl)propyl]prop-2-ene-1-sulfonamide
CID 91956038
N-[3-(6-chloroindazol-1-yl)propyl]-2-methylprop-2-ene-1-sulfonamide
CID 91956205
N-(3-indazol-1-ylpropyl)-2-phenoxyethanesulfonamide
CID 91956253

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide?
The IUPAC name of N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide (CID 91956336) is N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide.
What is the SMILES notation for N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide?
The canonical SMILES for N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide is O=S(=O)(CCOCc1ccccc1)NCCCn1ncc2ccc(Cl)cc21.
What is the InChIKey of N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide?
The InChIKey is JSGJPONNWUYCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c20-18-8-7-17-14-21-23(19(17)13-18)10-4-9-22-27(24,25)12-11-26-15-16-5-2-1-3-6-16/h1-3,5-8,13-14,22H,4,9-12,15H2.
What are the key properties of N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide?
N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide has a molecular weight of 407.92 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloroindazol-1-yl)propyl]-2-phenylmethoxyethanesulfonamide is sourced from PubChem (CID 91956336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).