3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

C19H22FN3O3S — CID 56922332

IUPAC3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C19H22FN3O3S/c1-14-6-7-17(21-19(24)15-4-3-5-16(20)12-15)13-18(14)27(25,26)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyDHTUZXOBFCMOCI-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.32
Rot. Bonds4

About 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide

3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 56922332) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID56922332
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C19H22FN3O3S/c1-14-6-7-17(21-19(24)15-4-3-5-16(20)12-15)13-18(14)27(25,26)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24)
InChIKeyDHTUZXOBFCMOCI-UHFFFAOYSA-N
XLogP2.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99968694
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705854
2,2-dimethyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 56921230
N-(3-iodo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 29295525
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-fluorobenzamide
CID 7589957
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
3-fluoro-4-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 37007638
5-bromo-2-chloro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 100537160
N-(3,4-dimethylphenyl)-4-methoxy-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99966830
1-(3-methoxyphenyl)-3-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]urea
CID 100746610
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-nitrobenzamide
CID 17432348

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 56922332) is 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is Cc1ccc(NC(=O)c2cccc(F)c2)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is DHTUZXOBFCMOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-14-6-7-17(21-19(24)15-4-3-5-16(20)12-15)13-18(14)27(25,26)23-10-8-22(2)9-11-23/h3-7,12-13H,8-11H2,1-2H3,(H,21,24).
What are the key properties of 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide?
3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 391.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 56922332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).