N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide

C15H14ClN3O4S — CID 167943030

IUPACN-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)NC3)cn1
InChIInChI=1S/C15H14ClN3O4S/c1-2-23-13-6-3-9(7-17-13)24(21,22)19-12-5-4-11(16)10-8-18-15(20)14(10)12/h3-7,19H,2,8H2,1H3,(H,18,20)
InChIKeyYDUXXJFSAGNRPZ-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.18
Rot. Bonds5

About N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide

N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide (PubChem CID 167943030) has the molecular formula C15H14ClN3O4S and a molecular weight of 367.81 g/mol. Its IUPAC name is N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide
PubChem CID167943030
Molecular FormulaC15H14ClN3O4S
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC NameN-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)NC3)cn1
InChIInChI=1S/C15H14ClN3O4S/c1-2-23-13-6-3-9(7-17-13)24(21,22)19-12-5-4-11(16)10-8-18-15(20)14(10)12/h3-7,19H,2,8H2,1H3,(H,18,20)
InChIKeyYDUXXJFSAGNRPZ-UHFFFAOYSA-N
XLogP2.18
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599660
N-(4-chloro-1,3-dimethylpyrazol-5-yl)-6-ethoxypyridine-3-sulfonamide
CID 167760272
4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038451
2-ethoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268013
6-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61045709
6-ethoxy-N-[4-[(6-ethoxy-3-pyridinyl)sulfonylamino]-3-(2-oxopropyl)naphthalen-1-yl]pyridine-3-sulfonamide
CID 177442010
N-(5-chloro-1-methylpyrazol-4-yl)-4-ethoxybenzenesulfonamide
CID 126823958
N-(2-chloro-4-methylphenyl)-4-ethoxybenzenesulfonamide
CID 7514268
N-cyclobutyl-6-ethoxy-N-methylpyridine-3-sulfonamide
CID 84599468
N-(3-cyclohexyl-4-methyl-1,2-oxazol-5-yl)-6-ethoxypyridine-3-sulfonamide
CID 126816285
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-4-ethoxybenzenesulfonamide
CID 39339831
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 114613079

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide?
The IUPAC name of N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide (CID 167943030) is N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide.
What is the SMILES notation for N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide?
The canonical SMILES for N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)NC3)cn1.
What is the InChIKey of N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide?
The InChIKey is YDUXXJFSAGNRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S/c1-2-23-13-6-3-9(7-17-13)24(21,22)19-12-5-4-11(16)10-8-18-15(20)14(10)12/h3-7,19H,2,8H2,1H3,(H,18,20).
What are the key properties of N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide?
N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide has a molecular weight of 367.81 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3-oxo-1,2-dihydroisoindol-4-yl)-6-ethoxypyridine-3-sulfonamide is sourced from PubChem (CID 167943030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).