N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide

C14H18ClN3O3S — CID 118795940

IUPACN-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide
SMILESCCS(=O)(=O)C(C)C(=O)NCc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C14H18ClN3O3S/c1-4-22(20,21)9(2)14(19)16-8-11-13-10(15)6-5-7-12(13)18(3)17-11/h5-7,9H,4,8H2,1-3H3,(H,16,19)
InChIKeyZPYJKVROYYSNHZ-UHFFFAOYSA-N
MW343.84 g/mol
LogP1.67
Rot. Bonds5

About N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide

N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide (PubChem CID 118795940) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide
PubChem CID118795940
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC NameN-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide
SMILESCCS(=O)(=O)C(C)C(=O)NCc1nn(C)c2cccc(Cl)c12
InChIInChI=1S/C14H18ClN3O3S/c1-4-22(20,21)9(2)14(19)16-8-11-13-10(15)6-5-7-12(13)18(3)17-11/h5-7,9H,4,8H2,1-3H3,(H,16,19)
InChIKeyZPYJKVROYYSNHZ-UHFFFAOYSA-N
XLogP1.67
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 119064447
(2S)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethoxypropanamide
CID 126434222
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91792577
(2R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444868
N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97206639
(2R,5R)-N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenylpyrrolidine-2-carboxamide
CID 155498138
N-[(4-chloro-1-methylindazol-3-yl)methyl]-5-phenyl-1,2-oxazole-4-carboxamide
CID 119068533
4-[(4-chloro-1-methylindazol-3-yl)methyl]piperazine-1-sulfonamide
CID 77078858
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 122571121
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
2-(2-amino-6-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 81184295

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide?
The IUPAC name of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide (CID 118795940) is N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide.
What is the SMILES notation for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide?
The canonical SMILES for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide is CCS(=O)(=O)C(C)C(=O)NCc1nn(C)c2cccc(Cl)c12.
What is the InChIKey of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide?
The InChIKey is ZPYJKVROYYSNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-4-22(20,21)9(2)14(19)16-8-11-13-10(15)6-5-7-12(13)18(3)17-11/h5-7,9H,4,8H2,1-3H3,(H,16,19).
What are the key properties of N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide?
N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide has a molecular weight of 343.84 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylindazol-3-yl)methyl]-2-ethylsulfonylpropanamide is sourced from PubChem (CID 118795940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).