4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

C18H20Cl2N4O4S — CID 41191853

IUPAC4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1
InChIInChI=1S/C18H20Cl2N4O4S/c1-28-17-5-2-13(11-21-17)12-22-18(25)23-6-8-24(9-7-23)29(26,27)16-10-14(19)3-4-15(16)20/h2-5,10-11H,6-9,12H2,1H3,(H,22,25)
InChIKeyUTNVCCBQZZZUSB-UHFFFAOYSA-N
MW459.36 g/mol
LogP2.61
Rot. Bonds5

About 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 41191853) has the molecular formula C18H20Cl2N4O4S and a molecular weight of 459.36 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID41191853
Molecular FormulaC18H20Cl2N4O4S
Molecular Weight459.36 g/mol
Exact Mass458.06
IUPAC Name4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1
InChIInChI=1S/C18H20Cl2N4O4S/c1-28-17-5-2-13(11-21-17)12-22-18(25)23-6-8-24(9-7-23)29(26,27)16-10-14(19)3-4-15(16)20/h2-5,10-11H,6-9,12H2,1H3,(H,22,25)
InChIKeyUTNVCCBQZZZUSB-UHFFFAOYSA-N
XLogP2.61
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 24589970
4-(4-ethoxyphenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
CID 41191852
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
1-(2,5-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 26515800
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
8-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxamide
CID 87038374
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-(2-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 55629608
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 51084629
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 9496684
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (CID 41191853) is 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cn1.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is UTNVCCBQZZZUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O4S/c1-28-17-5-2-13(11-21-17)12-22-18(25)23-6-8-24(9-7-23)29(26,27)16-10-14(19)3-4-15(16)20/h2-5,10-11H,6-9,12H2,1H3,(H,22,25).
What are the key properties of 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 459.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 41191853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).