N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C19H22FN3O5S2 — CID 55979789

IUPACN-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C19H22FN3O5S2/c1-13-5-2-3-8-23(13)30(27,28)17-7-4-6-14(9-17)19(24)22-16-10-15(20)11-18(12-16)29(21,25)26/h4,6-7,9-13H,2-3,5,8H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyFETWRDHJZIDKLA-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.29
Rot. Bonds5

About N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55979789) has the molecular formula C19H22FN3O5S2 and a molecular weight of 455.53 g/mol. Its IUPAC name is N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55979789
Molecular FormulaC19H22FN3O5S2
Molecular Weight455.53 g/mol
Exact Mass455.10
IUPAC NameN-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1
InChIInChI=1S/C19H22FN3O5S2/c1-13-5-2-3-8-23(13)30(27,28)17-7-4-6-14(9-17)19(24)22-16-10-15(20)11-18(12-16)29(21,25)26/h4,6-7,9-13H,2-3,5,8H2,1H3,(H,22,24)(H2,21,25,26)
InChIKeyFETWRDHJZIDKLA-UHFFFAOYSA-N
XLogP2.29
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
N-[4-(difluoromethylsulfanyl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112759122
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
3-(2-methylpiperidin-1-yl)sulfonyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56556170
N-(4-chloro-3-nitrophenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55363490
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112805830
3-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 109065546
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55383504
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55979789) is N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)c1.
What is the InChIKey of N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is FETWRDHJZIDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O5S2/c1-13-5-2-3-8-23(13)30(27,28)17-7-4-6-14(9-17)19(24)22-16-10-15(20)11-18(12-16)29(21,25)26/h4,6-7,9-13H,2-3,5,8H2,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 455.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55979789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).