2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide

C17H20Cl2N4O3S — CID 19330894

IUPAC2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCn1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)n1
InChIInChI=1S/C17H20Cl2N4O3S/c1-22-8-5-12(21-22)11-20-17(24)13-9-16(15(19)10-14(13)18)27(25,26)23-6-3-2-4-7-23/h5,8-10H,2-4,6-7,11H2,1H3,(H,20,24)
InChIKeyRAVZBLIVPADMFR-UHFFFAOYSA-N
MW431.35 g/mol
LogP2.83
Rot. Bonds5

About 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide

2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 19330894) has the molecular formula C17H20Cl2N4O3S and a molecular weight of 431.35 g/mol. Its IUPAC name is 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
PubChem CID19330894
Molecular FormulaC17H20Cl2N4O3S
Molecular Weight431.35 g/mol
Exact Mass430.06
IUPAC Name2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCn1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)n1
InChIInChI=1S/C17H20Cl2N4O3S/c1-22-8-5-12(21-22)11-20-17(24)13-9-16(15(19)10-14(13)18)27(25,26)23-6-3-2-4-7-23/h5,8-10H,2-4,6-7,11H2,1H3,(H,20,24)
InChIKeyRAVZBLIVPADMFR-UHFFFAOYSA-N
XLogP2.83
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19331140
2,4-dichloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19332140
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
CID 19282902
2,4-dichloro-N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19326096
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2,4-dichloro-5-piperidin-1-ylsulfonylbenzamide
CID 19335854
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533
2,4-dichloro-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19411943
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
2,4-dichloro-5-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1087728
2,4-dichloro-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19407924
2,4-dichloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19286881
N-[(4-chlorophenyl)methyl]-1-methyl-3-piperidin-1-ylsulfonylpyrazole-4-carboxamide
CID 53142858

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide (CID 19330894) is 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide is Cn1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)c(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RAVZBLIVPADMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O3S/c1-22-8-5-12(21-22)11-20-17(24)13-9-16(15(19)10-14(13)18)27(25,26)23-6-3-2-4-7-23/h5,8-10H,2-4,6-7,11H2,1H3,(H,20,24).
What are the key properties of 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide?
2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 431.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 19330894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).