3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide

C17H17ClN4O2S — CID 71807969

IUPAC3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C17H17ClN4O2S/c1-13-14(18)5-4-7-17(13)25(23,24)20-10-12-22-11-8-16(21-22)15-6-2-3-9-19-15/h2-9,11,20H,10,12H2,1H3
InChIKeySAJZAOZSVYTQRS-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.89
Rot. Bonds6

About 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide

3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 71807969) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID71807969
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCCn1ccc(-c2ccccn2)n1
InChIInChI=1S/C17H17ClN4O2S/c1-13-14(18)5-4-7-17(13)25(23,24)20-10-12-22-11-8-16(21-22)15-6-2-3-9-19-15/h2-9,11,20H,10,12H2,1H3
InChIKeySAJZAOZSVYTQRS-UHFFFAOYSA-N
XLogP2.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 1510476
N-[(2-chlorophenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 6466638
1-[1-(benzenesulfonyl)-5-(2-chloro-3-pyridinyl)pyrrol-3-yl]-N-methylmethanamine
CID 25007652
N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87563413
1-(2-chloro-4-fluorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6465363
N-[(2-Chlorophenyl)methyl]-4-(1H-pyrazol-1-YL)benzene-1-sulfonamide
CID 20914765
1-(4-Aminosulfonylphenyl)-5-(2-chloropyridin-4-yl)-3-trifluoromethyl-1H-pyrazole
CID 25258348
5-chloro-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethylbenzenesulfonamide
CID 57402428
1-[5-(2-chlorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine;trihydrochloride
CID 90665103
4-chloro-N-[2-ethyl-1-(2-phenylpyrazol-3-yl)butyl]benzenesulfonamide
CID 11247085
3-chloro-2-methyl-N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]benzenesulfonamide
CID 118512841
2,6-Dichloro-4-(2-chloro-pyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 58561278

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 71807969) is 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCCn1ccc(-c2ccccn2)n1.
What is the InChIKey of 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is SAJZAOZSVYTQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c1-13-14(18)5-4-7-17(13)25(23,24)20-10-12-22-11-8-16(21-22)15-6-2-3-9-19-15/h2-9,11,20H,10,12H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 376.87 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 71807969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).