5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide

C15H14ClFN2O3S — CID 27759607

IUPAC5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14ClFN2O3S/c1-9(10-2-5-12(6-3-10)23(18,21)22)19-15(20)13-8-11(16)4-7-14(13)17/h2-9H,1H3,(H,19,20)(H2,18,21,22)/t9-/m0/s1
InChIKeyMNSCVBGRGBRLEM-VIFPVBQESA-N
MW356.81 g/mol
LogP2.62
Rot. Bonds4

About 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide

5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 27759607) has the molecular formula C15H14ClFN2O3S and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID27759607
Molecular FormulaC15H14ClFN2O3S
Molecular Weight356.81 g/mol
Exact Mass356.04
IUPAC Name5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H14ClFN2O3S/c1-9(10-2-5-12(6-3-10)23(18,21)22)19-15(20)13-8-11(16)4-7-14(13)17/h2-9H,1H3,(H,19,20)(H2,18,21,22)/t9-/m0/s1
InChIKeyMNSCVBGRGBRLEM-VIFPVBQESA-N
XLogP2.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-5-fluoro-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 78811687
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-fluoro-5-sulfamoylbenzamide
CID 97141168
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 75811590
4-chloro-1-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 31136747
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
2,4-dichloro-5-fluoro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213570
2-fluoro-N-[1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-5-sulfamoylbenzamide
CID 72883314

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide (CID 27759607) is 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide is C[C@H](NC(=O)c1cc(Cl)ccc1F)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is MNSCVBGRGBRLEM-VIFPVBQESA-N. The full InChI is InChI=1S/C15H14ClFN2O3S/c1-9(10-2-5-12(6-3-10)23(18,21)22)19-15(20)13-8-11(16)4-7-14(13)17/h2-9H,1H3,(H,19,20)(H2,18,21,22)/t9-/m0/s1.
What are the key properties of 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide?
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 356.81 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 27759607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).