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

C17H18ClN3O3S — CID 1217132

IUPACN-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H18ClN3O3S/c1-12-4-5-13(17(22)20-16-7-6-14(18)11-19-16)10-15(12)25(23,24)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,22)
InChIKeyZCCNRZLFEOZXDL-UHFFFAOYSA-N
MW379.87 g/mol
LogP3.08
Rot. Bonds4

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

N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1217132) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1217132
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC NameN-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H18ClN3O3S/c1-12-4-5-13(17(22)20-16-7-6-14(18)11-19-16)10-15(12)25(23,24)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,22)
InChIKeyZCCNRZLFEOZXDL-UHFFFAOYSA-N
XLogP3.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1102150
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
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316057
N-(4-chlorophenyl)-4-methyl-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 1333013
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
(2,4-dichlorophenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 16548658
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-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1217132) is N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZCCNRZLFEOZXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-12-4-5-13(17(22)20-16-7-6-14(18)11-19-16)10-15(12)25(23,24)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 379.87 g/mol, XLogP of 3.08, 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-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1217132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).