N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide

C21H17ClFNO4S — CID 110165961

IUPACN-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2c(F)cccc2C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C21H17ClFNO4S/c1-13-9-11-15(12-10-13)28-20-16(5-3-7-18(20)23)21(25)24-29(26,27)19-8-4-6-17(22)14(19)2/h3-12H,1-2H3,(H,24,25)
InChIKeyMFEJBJMETUSUCT-UHFFFAOYSA-N
MW433.89 g/mol
LogP5.01
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide

N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide (PubChem CID 110165961) has the molecular formula C21H17ClFNO4S and a molecular weight of 433.89 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide
PubChem CID110165961
Molecular FormulaC21H17ClFNO4S
Molecular Weight433.89 g/mol
Exact Mass433.06
IUPAC NameN-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide
SMILESCc1ccc(Oc2c(F)cccc2C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1
InChIInChI=1S/C21H17ClFNO4S/c1-13-9-11-15(12-10-13)28-20-16(5-3-7-18(20)23)21(25)24-29(26,27)19-8-4-6-17(22)14(19)2/h3-12H,1-2H3,(H,24,25)
InChIKeyMFEJBJMETUSUCT-UHFFFAOYSA-N
XLogP5.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.89
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-2-(4-methylphenoxy)benzoic acid
CID 62650788
2-chloro-N-(3-chloro-2-methylphenyl)sulfonyl-5-pyrrol-1-ylbenzamide
CID 110166706
methyl 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 87026690
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
N-(3-chloro-2-methylphenyl)sulfonyl-3-pyrrolidin-1-ylbenzamide
CID 155988731
N-(2,5-dimethylfuran-3-yl)sulfonyl-2-fluorobenzamide
CID 86782476
N-(3-chloro-2-methylphenyl)sulfonyl-4-methyl-3-pyrrol-1-ylbenzamide
CID 110166689
N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide
CID 110077573
[(3-chloro-2-methylphenyl)sulfonylamino]thiourea
CID 65214851
3-fluoro-2-(3-methylphenoxy)benzoic acid
CID 55101471
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
2-chloro-N-[[3-chloro-4-[4-(4-chlorophenyl)sulfonylphenoxy]-2,5-dimethylphenyl]carbamoyl]benzamide
CID 19073005

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide (CID 110165961) is N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide is Cc1ccc(Oc2c(F)cccc2C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide?
The InChIKey is MFEJBJMETUSUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNO4S/c1-13-9-11-15(12-10-13)28-20-16(5-3-7-18(20)23)21(25)24-29(26,27)19-8-4-6-17(22)14(19)2/h3-12H,1-2H3,(H,24,25).
What are the key properties of N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide?
N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide has a molecular weight of 433.89 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)sulfonyl-3-fluoro-2-(4-methylphenoxy)benzamide is sourced from PubChem (CID 110165961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).