2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

C18H21FN4O5S2 — CID 5190289

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H21FN4O5S2/c19-14-1-5-17(6-2-14)30(27,28)23-11-9-22(10-12-23)13-18(24)21-15-3-7-16(8-4-15)29(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
InChIKeyUHVJDSACDKYBAM-UHFFFAOYSA-N
MW456.52 g/mol
LogP0.42
Rot. Bonds6

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 5190289) has the molecular formula C18H21FN4O5S2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID5190289
Molecular FormulaC18H21FN4O5S2
Molecular Weight456.52 g/mol
Exact Mass456.09
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C18H21FN4O5S2/c19-14-1-5-17(6-2-14)30(27,28)23-11-9-22(10-12-23)13-18(24)21-15-3-7-16(8-4-15)29(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
InChIKeyUHVJDSACDKYBAM-UHFFFAOYSA-N
XLogP0.42
TPSA129.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Thaumatin
CID 1151816
2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
4-(Benzenesulfonyl)-1,3-dihydroquinoxalin-2-one
CID 1093237
4-(4-Fluorophenyl)sulfonyl-1,3-dihydroquinoxalin-2-one
CID 1093238
N-(4-sulfamoylphenyl)-3-({2-[(4-sulfamoylphenyl)carbamoyl]ethyl}disulfanyl)propanamide
CID 16082752
N-(2-fluoro-4-sulfamoylphenyl)-3-({2-[(2-fluoro-4-sulfamoylphenyl)carbamoyl]ethyl}disulfanyl)propanamide
CID 16082756
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
6-[4-(2,6-Difluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 31760204

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide (CID 5190289) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is UHVJDSACDKYBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O5S2/c19-14-1-5-17(6-2-14)30(27,28)23-11-9-22(10-12-23)13-18(24)21-15-3-7-16(8-4-15)29(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26).
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 456.52 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 5190289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).