N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

C10H16F2N2O2S2 — CID 115409153

IUPACN-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCC(F)F)s1
InChIInChI=1S/C10H16F2N2O2S2/c1-7(2)13-5-8-3-4-10(17-8)18(15,16)14-6-9(11)12/h3-4,7,9,13-14H,5-6H2,1-2H3
InChIKeyJVNUUIGYKZVTEO-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds7

About N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide

N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 115409153) has the molecular formula C10H16F2N2O2S2 and a molecular weight of 298.38 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID115409153
Molecular FormulaC10H16F2N2O2S2
Molecular Weight298.38 g/mol
Exact Mass298.06
IUPAC NameN-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCC(F)F)s1
InChIInChI=1S/C10H16F2N2O2S2/c1-7(2)13-5-8-3-4-10(17-8)18(15,16)14-6-9(11)12/h3-4,7,9,13-14H,5-6H2,1-2H3
InChIKeyJVNUUIGYKZVTEO-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(propan-2-ylamino)methyl]-N-(2,2,3,3-tetrafluoropropyl)thiophene-2-sulfonamide
CID 106295869
N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
N-(5-methylsulfanylpentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106093680
5-[(propan-2-ylamino)methyl]-N-(2H-tetrazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106051525
N-(3-ethylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063280
5-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)thiophene-2-sulfonamide
CID 102915697
N-[(1-methylpyrazol-4-yl)methyl]-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106018225
N-(2,2-difluoroethyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 115409112
N-(2-methylcyclopentyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106064252
N-(1-cyclopropylbutan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106063918
N-(1-methoxypentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106068483
N-[2-(dimethylamino)propyl]-5-(propylaminomethyl)thiophene-2-sulfonamide
CID 106017196

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide (CID 115409153) is N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)NCC(F)F)s1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is JVNUUIGYKZVTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2S2/c1-7(2)13-5-8-3-4-10(17-8)18(15,16)14-6-9(11)12/h3-4,7,9,13-14H,5-6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide?
N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 298.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 115409153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).