2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide

C15H14ClF2N3O3S — CID 1250955

IUPAC2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide
SMILESCN(C)S(=O)(=O)Nc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C15H14ClF2N3O3S/c1-21(2)25(23,24)20-10-5-3-4-9(6-10)19-15(22)11-7-13(17)14(18)8-12(11)16/h3-8,20H,1-2H3,(H,19,22)
InChIKeyICLGPUMWZJHYCJ-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.09
Rot. Bonds5

About 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide

2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide (PubChem CID 1250955) has the molecular formula C15H14ClF2N3O3S and a molecular weight of 389.81 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide
PubChem CID1250955
Molecular FormulaC15H14ClF2N3O3S
Molecular Weight389.81 g/mol
Exact Mass389.04
IUPAC Name2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide
SMILESCN(C)S(=O)(=O)Nc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1
InChIInChI=1S/C15H14ClF2N3O3S/c1-21(2)25(23,24)20-10-5-3-4-9(6-10)19-15(22)11-7-13(17)14(18)8-12(11)16/h3-8,20H,1-2H3,(H,19,22)
InChIKeyICLGPUMWZJHYCJ-UHFFFAOYSA-N
XLogP3.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
dimethyl (E)-2-[3-[(2-chloro-4,5-difluorobenzoyl)amino]anilino]but-2-enedioate
CID 168569299
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
2,4-dichloro-N-[4-(dimethylsulfamoyl)phenyl]-5-fluorobenzamide
CID 27669089
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
N-(3-acetamidophenyl)-2-chloro-4-(methanesulfonamido)benzamide
CID 28635588
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
CID 82773116
2-chloro-N-(2,6-diethylphenyl)-4,5-difluorobenzamide
CID 1252541

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide (CID 1250955) is 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide is CN(C)S(=O)(=O)Nc1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide?
The InChIKey is ICLGPUMWZJHYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O3S/c1-21(2)25(23,24)20-10-5-3-4-9(6-10)19-15(22)11-7-13(17)14(18)8-12(11)16/h3-8,20H,1-2H3,(H,19,22).
What are the key properties of 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide?
2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide has a molecular weight of 389.81 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylsulfamoylamino)phenyl]-4,5-difluorobenzamide is sourced from PubChem (CID 1250955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).