3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide

C16H19ClN4O3S — CID 167932683

IUPAC3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCn1cc(C2CCCCN2S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cn1
InChIInChI=1S/C16H19ClN4O3S/c1-20-10-12(9-19-20)15-4-2-3-5-21(15)25(23,24)14-7-11(16(18)22)6-13(17)8-14/h6-10,15H,2-5H2,1H3,(H2,18,22)
InChIKeyAFMWNFWAYDQMEW-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.09
Rot. Bonds4

About 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide

3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide (PubChem CID 167932683) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide
PubChem CID167932683
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC Name3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide
SMILESCn1cc(C2CCCCN2S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cn1
InChIInChI=1S/C16H19ClN4O3S/c1-20-10-12(9-19-20)15-4-2-3-5-21(15)25(23,24)14-7-11(16(18)22)6-13(17)8-14/h6-10,15H,2-5H2,1H3,(H2,18,22)
InChIKeyAFMWNFWAYDQMEW-UHFFFAOYSA-N
XLogP2.09
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 146100837
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
1-(3,5-dichlorophenyl)sulfonyl-2-methylpiperidine
CID 21364435
4-[(2R)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 94162249
3-(4-amino-3,3-dimethylpiperidin-1-yl)sulfonyl-5-chlorobenzamide
CID 120778896
N-(dimethylamino-oxo-phenyl-λ6-sulfanylidene)-2-(1-methylpyrazol-4-yl)piperidine-1-sulfonamide
CID 167751529
4-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzamide
CID 27304150
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
5-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 99799674
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
dimethyl 5-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]sulfonylbenzene-1,3-dicarboxylate
CID 26545109

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide?
The IUPAC name of 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide (CID 167932683) is 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide is Cn1cc(C2CCCCN2S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cn1.
What is the InChIKey of 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide?
The InChIKey is AFMWNFWAYDQMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-20-10-12(9-19-20)15-4-2-3-5-21(15)25(23,24)14-7-11(16(18)22)6-13(17)8-14/h6-10,15H,2-5H2,1H3,(H2,18,22).
What are the key properties of 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide?
3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide has a molecular weight of 382.87 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 167932683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).