N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide

C14H20F2N2O2S — CID 106024720

IUPACN-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide
SMILESCCNCc1c(F)ccc(S(=O)(=O)NCC2CCC2)c1F
InChIInChI=1S/C14H20F2N2O2S/c1-2-17-9-11-12(15)6-7-13(14(11)16)21(19,20)18-8-10-4-3-5-10/h6-7,10,17-18H,2-5,8-9H2,1H3
InChIKeyQUBLUOOECXCPBR-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.15
Rot. Bonds7

About N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide

N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide (PubChem CID 106024720) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide
PubChem CID106024720
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide
SMILESCCNCc1c(F)ccc(S(=O)(=O)NCC2CCC2)c1F
InChIInChI=1S/C14H20F2N2O2S/c1-2-17-9-11-12(15)6-7-13(14(11)16)21(19,20)18-8-10-4-3-5-10/h6-7,10,17-18H,2-5,8-9H2,1H3
InChIKeyQUBLUOOECXCPBR-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(cyclohexylmethyl)-2,4-difluorobenzenesulfonamide
CID 107343158
N-(cyclopropylmethyl)-4-(ethylaminomethyl)-2-fluorobenzenesulfonamide
CID 79190650
3-(ethylaminomethyl)-2,4-difluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 106086315
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
2-bromo-N-(cyclobutylmethyl)-5-(ethylaminomethyl)-3-methylbenzenesulfonamide
CID 106024958
N-(cyclobutylmethyl)-4-[(cyclopropylamino)methyl]-2-fluorobenzenesulfonamide
CID 106024371
3-amino-2,4-difluoro-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416435
N-[(3-chlorocyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
CID 106135987
3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343305
N-(cyclopentylmethyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026704
1-cyclopentyl-N-[(2,6-difluorophenyl)methyl]methanamine
CID 43370931
N-(cyclobutylmethyl)ethanamine;ethane
CID 171530006

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide (CID 106024720) is N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide is CCNCc1c(F)ccc(S(=O)(=O)NCC2CCC2)c1F.
What is the InChIKey of N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is QUBLUOOECXCPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-17-9-11-12(15)6-7-13(14(11)16)21(19,20)18-8-10-4-3-5-10/h6-7,10,17-18H,2-5,8-9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide?
N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(ethylaminomethyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 106024720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).