5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide

C14H11ClF2N2O3S — CID 25487071

IUPAC5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1F
InChIInChI=1S/C14H11ClF2N2O3S/c1-23(21,22)19-13-7-9(3-5-12(13)17)18-14(20)10-6-8(15)2-4-11(10)16/h2-7,19H,1H3,(H,18,20)
InChIKeyODXKTWOOVZVXMJ-UHFFFAOYSA-N
MW360.77 g/mol
LogP3.24
Rot. Bonds4

About 5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide

5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide (PubChem CID 25487071) has the molecular formula C14H11ClF2N2O3S and a molecular weight of 360.77 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
PubChem CID25487071
Molecular FormulaC14H11ClF2N2O3S
Molecular Weight360.77 g/mol
Exact Mass360.01
IUPAC Name5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide
SMILESCS(=O)(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1F
InChIInChI=1S/C14H11ClF2N2O3S/c1-23(21,22)19-13-7-9(3-5-12(13)17)18-14(20)10-6-8(15)2-4-11(10)16/h2-7,19H,1H3,(H,18,20)
InChIKeyODXKTWOOVZVXMJ-UHFFFAOYSA-N
XLogP3.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.77
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 62732998
5-chloro-2-(methanesulfonamido)-N-(3-methylphenyl)benzamide
CID 49191937
3-(4-chlorophenyl)-N-[4-fluoro-3-(methanesulfonamido)phenyl]propanamide
CID 43050377
2-(4-chlorophenyl)sulfonyl-N-[4-fluoro-3-(methanesulfonamido)phenyl]acetamide
CID 24677242
2,4-dichloro-N-[4-(methanesulfonamido)-3-methoxyphenyl]benzamide
CID 37258917
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
ethyl N-[4-fluoro-3-(methanesulfonamido)phenyl]carbamate
CID 60728396
5-bromo-N-[4-fluoro-3-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 60727246
3-chloro-N-(3-chloro-4-fluorophenyl)-4-(methanesulfonamido)benzamide
CID 46778692
4-[(5-chloro-2-fluorobenzoyl)amino]-2-fluorobenzoic acid
CID 103791493
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334
2-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylbutanamide
CID 43712924

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide (CID 25487071) is 5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide is CS(=O)(=O)Nc1cc(NC(=O)c2cc(Cl)ccc2F)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide?
The InChIKey is ODXKTWOOVZVXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2N2O3S/c1-23(21,22)19-13-7-9(3-5-12(13)17)18-14(20)10-6-8(15)2-4-11(10)16/h2-7,19H,1H3,(H,18,20).
What are the key properties of 5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide?
5-chloro-2-fluoro-N-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide has a molecular weight of 360.77 g/mol, XLogP of 3.24, 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-[4-fluoro-3-(methanesulfonamido)phenyl]benzamide is sourced from PubChem (CID 25487071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).