[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone

C23H25ClN4O3S — CID 22711006

IUPAC[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone
SMILESCn1c(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc2c1CCNC2
InChIInChI=1S/C23H25ClN4O3S/c1-26-21-6-7-25-15-18(21)14-22(26)23(29)27-8-10-28(11-9-27)32(30,31)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14,25H,6-11,15H2,1H3
InChIKeyGTBFTJOUKWRLRB-UHFFFAOYSA-N
MW473.00 g/mol
LogP2.62
Rot. Bonds3

About [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone (PubChem CID 22711006) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone
PubChem CID22711006
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC Name[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone
SMILESCn1c(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc2c1CCNC2
InChIInChI=1S/C23H25ClN4O3S/c1-26-21-6-7-25-15-18(21)14-22(26)23(29)27-8-10-28(11-9-27)32(30,31)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14,25H,6-11,15H2,1H3
InChIKeyGTBFTJOUKWRLRB-UHFFFAOYSA-N
XLogP2.62
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methanone;hydrochloride
CID 22709763
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone;hydrochloride
CID 11272253
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
(E)-1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)prop-2-en-1-one;hydrochloride
CID 22710726
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-yl)methanone
CID 22711111
tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 18761390
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5-ethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone;hydrochloride
CID 22711055
2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 22711500
N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]benzenecarboximidoyl]acetamide
CID 149151874
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(5,6-dimethyl-4,7-dihydro-[1,3]oxazolo[4,5-d]pyridazin-2-yl)methanone
CID 139897092
(5-chloro-2-hydroxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18105471
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-([1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22709892

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone?
The IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone (CID 22711006) is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone.
What is the SMILES notation for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone?
The canonical SMILES for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone is Cn1c(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)cc2c1CCNC2.
What is the InChIKey of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone?
The InChIKey is GTBFTJOUKWRLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c1-26-21-6-7-25-15-18(21)14-22(26)23(29)27-8-10-28(11-9-27)32(30,31)20-5-3-16-12-19(24)4-2-17(16)13-20/h2-5,12-14,25H,6-11,15H2,1H3.
What are the key properties of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone?
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone has a molecular weight of 473.00 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone is sourced from PubChem (CID 22711006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).