6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide

C26H29ClN4O3S — CID 11375712

IUPAC6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCC(CNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1
InChIInChI=1S/C26H29ClN4O3S/c27-23-3-1-22-16-25(4-2-21(22)15-23)35(33,34)29-17-19-7-12-31(18-19)26(32)20-8-13-30(14-9-20)24-5-10-28-11-6-24/h1-6,10-11,15-16,19-20,29H,7-9,12-14,17-18H2
InChIKeyXVLHYYDPWZHOLN-UHFFFAOYSA-N
MW513.06 g/mol
LogP3.93
Rot. Bonds6

About 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide

6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide (PubChem CID 11375712) has the molecular formula C26H29ClN4O3S and a molecular weight of 513.06 g/mol. Its IUPAC name is 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
PubChem CID11375712
Molecular FormulaC26H29ClN4O3S
Molecular Weight513.06 g/mol
Exact Mass512.16
IUPAC Name6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide
SMILESO=C(C1CCN(c2ccncc2)CC1)N1CCC(CNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1
InChIInChI=1S/C26H29ClN4O3S/c27-23-3-1-22-16-25(4-2-21(22)15-23)35(33,34)29-17-19-7-12-31(18-19)26(32)20-8-13-30(14-9-20)24-5-10-28-11-6-24/h1-6,10-11,15-16,19-20,29H,7-9,12-14,17-18H2
InChIKeyXVLHYYDPWZHOLN-UHFFFAOYSA-N
XLogP3.93
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.06
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide with MolForge

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Related Compounds

(4-(6-Chloro-Naphthalene-2-Sulfonyl)-Piperazin-1-Yl)-(3,4,5,6-Tetrahydro-2h-(1,4')Bipyridinyl-4-Yl)-Methanone
CID 446399
P4 alanylamide pyrrolidin-2-one 26
CID 10152710
P4 alanylamide pyrrolidin-2-one 28
CID 10218126
P4 alanylamide pyrrolidin-2-one 29
CID 10289601
P4 alanylamide pyrrolidin-2-one 27
CID 10311669
P4 alanylamide pyrrolidin-2-one 24
CID 23646115
6-chloro-N-(1-(4-(2-cyanopyridin-3-yl)-2-fluorophenyl)-2-oxopyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 44446365
N-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl]-N-methyl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 9913274
3-(6-chloronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
CID 10117027
(E)-2-(4-chlorophenyl)-N-((1-(1-(pyridin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)ethenesulfonamide
CID 11294750
N-[3-(6-chloronaphthalen-2-yl)sulfonylpropyl]-N-ethyl-1-pyridin-4-ylpiperidine-4-carboxamide
CID 17851729
N-[1-(2-amino-4-pyridinyl)piperidin-4-yl]-3-(6-chloronaphthalen-2-yl)sulfonyl-N-methylpropanamide
CID 17852042

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide (CID 11375712) is 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide is O=C(C1CCN(c2ccncc2)CC1)N1CCC(CNS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1.
What is the InChIKey of 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide?
The InChIKey is XVLHYYDPWZHOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O3S/c27-23-3-1-22-16-25(4-2-21(22)15-23)35(33,34)29-17-19-7-12-31(18-19)26(32)20-8-13-30(14-9-20)24-5-10-28-11-6-24/h1-6,10-11,15-16,19-20,29H,7-9,12-14,17-18H2.
What are the key properties of 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide?
6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide has a molecular weight of 513.06 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(1-pyridin-4-ylpiperidine-4-carbonyl)pyrrolidin-3-yl]methyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 11375712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).