N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide

C14H22F2N2O2S — CID 115409231

IUPACN-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCc1ccc(CNC(C)C)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C14H22F2N2O2S/c1-4-12-6-5-11(8-17-10(2)3)7-13(12)21(19,20)18-9-14(15)16/h5-7,10,14,17-18H,4,8-9H2,1-3H3
InChIKeySXEUXHONRRIWDP-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.29
Rot. Bonds8

About N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide

N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 115409231) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID115409231
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC NameN-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCCc1ccc(CNC(C)C)cc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C14H22F2N2O2S/c1-4-12-6-5-11(8-17-10(2)3)7-13(12)21(19,20)18-9-14(15)16/h5-7,10,14,17-18H,4,8-9H2,1-3H3
InChIKeySXEUXHONRRIWDP-UHFFFAOYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 115409199
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409112
2-fluoro-N-(2-methoxypropyl)-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102701408
5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920741
2-fluoro-4-[(propan-2-ylamino)methyl]-N-propylbenzenesulfonamide
CID 79189875
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
2-bromo-N-(2,2-difluoroethyl)-4-(propylaminomethyl)benzenesulfonamide
CID 115409236
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 115409153
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 115409035
N-[2-(dimethylamino)ethyl]-2-ethyl-5-(ethylaminomethyl)benzenesulfonamide
CID 106032666

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 115409231) is N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide is CCc1ccc(CNC(C)C)cc1S(=O)(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is SXEUXHONRRIWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-4-12-6-5-11(8-17-10(2)3)7-13(12)21(19,20)18-9-14(15)16/h5-7,10,14,17-18H,4,8-9H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-ethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 115409231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).