N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

C18H20ClN3O3S — CID 1102150

IUPACN-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H20ClN3O3S/c1-13-5-6-14(18(23)21-17-8-7-15(19)12-20-17)11-16(13)26(24,25)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,23)
InChIKeyOLWZWWULFPYXIC-UHFFFAOYSA-N
MW393.90 g/mol
LogP3.47
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide

N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1102150) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1102150
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H20ClN3O3S/c1-13-5-6-14(18(23)21-17-8-7-15(19)12-20-17)11-16(13)26(24,25)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,23)
InChIKeyOLWZWWULFPYXIC-UHFFFAOYSA-N
XLogP3.47
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-(4-chloro-2-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9003684
methyl 3-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]sulfonyl-4-methylbenzoate
CID 55816049
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56694675
N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119516416
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide
CID 26251360
2-[[3-(azepan-1-ylsulfonyl)-4-methylbenzoyl]amino]benzoic acid
CID 1316696

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide (CID 1102150) is N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OLWZWWULFPYXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-13-5-6-14(18(23)21-17-8-7-15(19)12-20-17)11-16(13)26(24,25)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide?
N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 393.90 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1102150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).