5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide

C18H16BrClFNO4S — CID 167577592

IUPAC5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(CS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(C2CC2)c1F
InChIInChI=1S/C18H16BrClFNO4S/c1-22-18(24)13-5-9(4-12(16(13)21)10-2-3-10)8-27(25,26)15-7-11(19)6-14(20)17(15)23/h4-7,10,23H,2-3,8H2,1H3,(H,22,24)
InChIKeyGTAKXCDSCSXPBA-UHFFFAOYSA-N
MW476.75 g/mol
LogP4.16
Rot. Bonds5

About 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide

5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide (PubChem CID 167577592) has the molecular formula C18H16BrClFNO4S and a molecular weight of 476.75 g/mol. Its IUPAC name is 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide
PubChem CID167577592
Molecular FormulaC18H16BrClFNO4S
Molecular Weight476.75 g/mol
Exact Mass474.97
IUPAC Name5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(CS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(C2CC2)c1F
InChIInChI=1S/C18H16BrClFNO4S/c1-22-18(24)13-5-9(4-12(16(13)21)10-2-3-10)8-27(25,26)15-7-11(19)6-14(20)17(15)23/h4-7,10,23H,2-3,8H2,1H3,(H,22,24)
InChIKeyGTAKXCDSCSXPBA-UHFFFAOYSA-N
XLogP4.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.75
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide (CID 167577592) is 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(CS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(C2CC2)c1F.
What is the InChIKey of 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide?
The InChIKey is GTAKXCDSCSXPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrClFNO4S/c1-22-18(24)13-5-9(4-12(16(13)21)10-2-3-10)8-27(25,26)15-7-11(19)6-14(20)17(15)23/h4-7,10,23H,2-3,8H2,1H3,(H,22,24).
What are the key properties of 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide?
5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide has a molecular weight of 476.75 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonylmethyl]-3-cyclopropyl-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 167577592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).