N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide

C18H20F2N2O2S — CID 171387546

IUPACN-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cccc(S(=O)(=O)NCC3CC3(F)F)c2)cc1
InChIInChI=1S/C18H20F2N2O2S/c1-22(2)16-8-6-13(7-9-16)14-4-3-5-17(10-14)25(23,24)21-12-15-11-18(15,19)20/h3-10,15,21H,11-12H2,1-2H3
InChIKeyRKZZEEGJEZSXMF-UHFFFAOYSA-N
MW366.43 g/mol
LogP3.35
Rot. Bonds6

About N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide

N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide (PubChem CID 171387546) has the molecular formula C18H20F2N2O2S and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide
PubChem CID171387546
Molecular FormulaC18H20F2N2O2S
Molecular Weight366.43 g/mol
Exact Mass366.12
IUPAC NameN-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide
SMILESCN(C)c1ccc(-c2cccc(S(=O)(=O)NCC3CC3(F)F)c2)cc1
InChIInChI=1S/C18H20F2N2O2S/c1-22(2)16-8-6-13(7-9-16)14-4-3-5-17(10-14)25(23,24)21-12-15-11-18(15,19)20/h3-10,15,21H,11-12H2,1-2H3
InChIKeyRKZZEEGJEZSXMF-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-3-hydroxybenzenesulfonamide
CID 114108635
3-cyano-N-[(2,2-dimethylcyclopropyl)methyl]benzenesulfonamide
CID 103659810
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-fluorobenzenesulfonamide
CID 90554367
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 7497842
N,N-dimethylazulene-5-sulfonamide
CID 67469153
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90554379
N-[4-(dimethylamino)phenyl]-3-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 11165024
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-3-methylbenzenesulfonamide
CID 90581543
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-nitrobenzenesulfonamide
CID 43956490
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide?
The IUPAC name of N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide (CID 171387546) is N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide is CN(C)c1ccc(-c2cccc(S(=O)(=O)NCC3CC3(F)F)c2)cc1.
What is the InChIKey of N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide?
The InChIKey is RKZZEEGJEZSXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2S/c1-22(2)16-8-6-13(7-9-16)14-4-3-5-17(10-14)25(23,24)21-12-15-11-18(15,19)20/h3-10,15,21H,11-12H2,1-2H3.
What are the key properties of N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide?
N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide has a molecular weight of 366.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclopropyl)methyl]-3-[4-(dimethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 171387546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).