2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide

C18H23N5O5S2 — CID 43063725

IUPAC2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H23N5O5S2/c1-14(18(24)21-15-4-6-16(7-5-15)29(19,25)26)22-9-11-23(12-10-22)30(27,28)17-3-2-8-20-13-17/h2-8,13-14H,9-12H2,1H3,(H,21,24)(H2,19,25,26)
InChIKeyCQEXFDAHMHREPS-UHFFFAOYSA-N
MW453.55 g/mol
LogP0.06
Rot. Bonds6

About 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide

2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 43063725) has the molecular formula C18H23N5O5S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
PubChem CID43063725
Molecular FormulaC18H23N5O5S2
Molecular Weight453.55 g/mol
Exact Mass453.11
IUPAC Name2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H23N5O5S2/c1-14(18(24)21-15-4-6-16(7-5-15)29(19,25)26)22-9-11-23(12-10-22)30(27,28)17-3-2-8-20-13-17/h2-8,13-14H,9-12H2,1H3,(H,21,24)(H2,19,25,26)
InChIKeyCQEXFDAHMHREPS-UHFFFAOYSA-N
XLogP0.06
TPSA142.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 46602948
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42996416
(2S)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 8512070
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
(2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2473966
N-(4-sulfamoylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 55499702
(2S)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066635
(2R)-N-(4-chlorophenyl)-2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 97066636
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propanamide
CID 55680040
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 55351317
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4824621
N-[4-[(S)-methylsulfinyl]phenyl]-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 95786560

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide (CID 43063725) is 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide is CC(C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is CQEXFDAHMHREPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5S2/c1-14(18(24)21-15-4-6-16(7-5-15)29(19,25)26)22-9-11-23(12-10-22)30(27,28)17-3-2-8-20-13-17/h2-8,13-14H,9-12H2,1H3,(H,21,24)(H2,19,25,26).
What are the key properties of 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide?
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 453.55 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 43063725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).