5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide

C19H20ClN5O3S — CID 121019977

IUPAC5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1
InChIInChI=1S/C19H20ClN5O3S/c1-28-18-5-4-14(20)10-19(18)29(26,27)23-8-9-25-17(13-2-3-13)11-15(24-25)16-12-21-6-7-22-16/h4-7,10-13,23H,2-3,8-9H2,1H3
InChIKeyUSCICJNYRLMWOS-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.86
Rot. Bonds8

About 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide

5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 121019977) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID121019977
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC Name5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1
InChIInChI=1S/C19H20ClN5O3S/c1-28-18-5-4-14(20)10-19(18)29(26,27)23-8-9-25-17(13-2-3-13)11-15(24-25)16-12-21-6-7-22-16/h4-7,10-13,23H,2-3,8-9H2,1H3
InChIKeyUSCICJNYRLMWOS-UHFFFAOYSA-N
XLogP2.86
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
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5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
5-chloro-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)ethyl]-2-methoxybenzenesulfonamide
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5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
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N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 121139706
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide
CID 72718788
5-chloro-2-methoxy-N-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 53144771
5-chloro-N-(cyclohexylmethyl)-2-methoxybenzenesulfonamide
CID 100566408
2,5-dimethoxy-N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 86266233
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 72718644
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide (CID 121019977) is 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)NCCn1nc(-c2cnccn2)cc1C1CC1.
What is the InChIKey of 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is USCICJNYRLMWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-28-18-5-4-14(20)10-19(18)29(26,27)23-8-9-25-17(13-2-3-13)11-15(24-25)16-12-21-6-7-22-16/h4-7,10-13,23H,2-3,8-9H2,1H3.
What are the key properties of 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide?
5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 433.92 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 121019977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).