4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride

C11H16FN3O4S2 — CID 114958433

IUPAC4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESCN1CCN(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1
InChIInChI=1S/C11H16FN3O4S2/c1-14-6-8-15(9-7-14)13-21(18,19)11-4-2-10(3-5-11)20(12,16)17/h2-5,13H,6-9H2,1H3
InChIKeyQVSKKANIZYVNGY-UHFFFAOYSA-N
MW337.40 g/mol
LogP-0.21
Rot. Bonds4

About 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride

4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114958433) has the molecular formula C11H16FN3O4S2 and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114958433
Molecular FormulaC11H16FN3O4S2
Molecular Weight337.40 g/mol
Exact Mass337.06
IUPAC Name4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride
SMILESCN1CCN(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1
InChIInChI=1S/C11H16FN3O4S2/c1-14-6-8-15(9-7-14)13-21(18,19)11-4-2-10(3-5-11)20(12,16)17/h2-5,13H,6-9H2,1H3
InChIKeyQVSKKANIZYVNGY-UHFFFAOYSA-N
XLogP-0.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78909293
N-(4-methylpiperazin-1-yl)quinazoline-6-sulfonamide
CID 176943928
6-cyano-N-(4-methylpiperazin-1-yl)pyridine-3-sulfonamide
CID 114613912
2-bromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 78910879
5-cyano-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 106268836
4-[5-[4-(dimethylamino)phenyl]-1,3-oxazol-2-yl]-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 10114217
2,4-dibromo-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83023744
1-(2-aminoethyl)-N-(4-methylpiperazin-1-yl)pyrazole-4-sulfonamide
CID 106075440
6-amino-2,3-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012285
2-amino-6-methyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012362
3-(3-hydroxyprop-1-ynyl)-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83015854
4-amino-2,6-dimethyl-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83012679

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride (CID 114958433) is 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride is CN1CCN(NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is QVSKKANIZYVNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O4S2/c1-14-6-8-15(9-7-14)13-21(18,19)11-4-2-10(3-5-11)20(12,16)17/h2-5,13H,6-9H2,1H3.
What are the key properties of 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride?
4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 337.40 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114958433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).