1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide

C17H17ClN4O2S — CID 90588160

IUPAC1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C17H17ClN4O2S/c18-16-4-2-1-3-15(16)13-25(23,24)20-10-12-22-11-7-17(21-22)14-5-8-19-9-6-14/h1-9,11,20H,10,12-13H2
InChIKeyKWTUKSYMQLXTSW-UHFFFAOYSA-N
MW376.87 g/mol
LogP2.72
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 90588160) has the molecular formula C17H17ClN4O2S and a molecular weight of 376.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID90588160
Molecular FormulaC17H17ClN4O2S
Molecular Weight376.87 g/mol
Exact Mass376.08
IUPAC Name1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C17H17ClN4O2S/c18-16-4-2-1-3-15(16)13-25(23,24)20-10-12-22-11-7-17(21-22)14-5-8-19-9-6-14/h1-9,11,20H,10,12-13H2
InChIKeyKWTUKSYMQLXTSW-UHFFFAOYSA-N
XLogP2.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588125
2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588242
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90588192
2-bromo-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588186
5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 71807866
1-(2-chlorophenyl)-N-[2-(3-pyridin-4-yl-4,5,6,7-tetrahydroindazol-1-yl)ethyl]methanesulfonamide
CID 90614316
1-(2-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 90588515
4-nitro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588155
1-(2-chlorophenyl)-N-pyridin-4-ylmethanesulfonamide
CID 3944658
3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588145
3,4-dimethoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588175
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 71807800

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide (CID 90588160) is 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is KWTUKSYMQLXTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S/c18-16-4-2-1-3-15(16)13-25(23,24)20-10-12-22-11-7-17(21-22)14-5-8-19-9-6-14/h1-9,11,20H,10,12-13H2.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 376.87 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90588160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).