N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide

C17H16ClF2NO2S — CID 56514574

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C17H16ClF2NO2S/c18-16-5-2-6-17(20)15(16)10-21(14-7-8-14)24(22,23)11-12-3-1-4-13(19)9-12/h1-6,9,14H,7-8,10-11H2
InChIKeyVNBRIEQAXUZEEU-UHFFFAOYSA-N
MW371.84 g/mol
LogP4.11
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 56514574) has the molecular formula C17H16ClF2NO2S and a molecular weight of 371.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide
PubChem CID56514574
Molecular FormulaC17H16ClF2NO2S
Molecular Weight371.84 g/mol
Exact Mass371.06
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cccc(F)c1)N(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C17H16ClF2NO2S/c18-16-5-2-6-17(20)15(16)10-21(14-7-8-14)24(22,23)11-12-3-1-4-13(19)9-12/h1-6,9,14H,7-8,10-11H2
InChIKeyVNBRIEQAXUZEEU-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,6-difluorobenzenesulfonamide
CID 38254380
N-cyclopropyl-1-(3,4-dichlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 56582102
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-ethylsulfonylbenzenesulfonamide
CID 55872067
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35315095
5-bromo-2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-3-sulfonamide
CID 55766385
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 46633664
2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-N-(2,5-difluorophenyl)acetamide
CID 34717732
N-[2-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78835530
N-cyclopropyl-4-ethylsulfonyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 87032983
1-(3-chlorophenyl)-N-cyclopropyl-N-(2-thiophen-2-ylethyl)methanesulfonamide
CID 90496128
4-[(2-chloro-6-fluorophenyl)methyl-methylamino]cyclohexan-1-one
CID 79119937
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46533760

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide (CID 56514574) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1cccc(F)c1)N(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is VNBRIEQAXUZEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO2S/c18-16-5-2-6-17(20)15(16)10-21(14-7-8-14)24(22,23)11-12-3-1-4-13(19)9-12/h1-6,9,14H,7-8,10-11H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 371.84 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 56514574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).