5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide

C16H22ClN3O3S — CID 22578604

IUPAC5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2cc(Cl)ccc2OC)c1C
InChIInChI=1S/C16H22ClN3O3S/c1-5-20-12(3)14(11(2)19-20)8-9-18-24(21,22)16-10-13(17)6-7-15(16)23-4/h6-7,10,18H,5,8-9H2,1-4H3
InChIKeyGOBJJXSASMVZCX-UHFFFAOYSA-N
MW371.89 g/mol
LogP2.70
Rot. Bonds7

About 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 22578604) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID22578604
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC Name5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2cc(Cl)ccc2OC)c1C
InChIInChI=1S/C16H22ClN3O3S/c1-5-20-12(3)14(11(2)19-20)8-9-18-24(21,22)16-10-13(17)6-7-15(16)23-4/h6-7,10,18H,5,8-9H2,1-4H3
InChIKeyGOBJJXSASMVZCX-UHFFFAOYSA-N
XLogP2.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 22578602
5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 22578603
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716555
5-chloro-2-methoxy-N-[2-(1-methylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789299
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3794825
5-chloro-2-methoxy-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 122308758
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxybenzenesulfonamide
CID 122325569
5-chloro-N-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 41241507
5-chloro-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 3716409
5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144771

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide (CID 22578604) is 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide is CCn1nc(C)c(CCNS(=O)(=O)c2cc(Cl)ccc2OC)c1C.
What is the InChIKey of 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is GOBJJXSASMVZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3S/c1-5-20-12(3)14(11(2)19-20)8-9-18-24(21,22)16-10-13(17)6-7-15(16)23-4/h6-7,10,18H,5,8-9H2,1-4H3.
What are the key properties of 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 371.89 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 22578604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).