3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

C14H20F2N2O2S — CID 79361701

IUPAC3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(F)c(CN)c2F)C1(C)C
InChIInChI=1S/C14H20F2N2O2S/c1-13(2)12(14(13,3)4)18-21(19,20)10-6-5-9(15)8(7-17)11(10)16/h5-6,12,18H,7,17H2,1-4H3
InChIKeyNQMCSYDALKYUJV-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.14
Rot. Bonds4

About 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide

3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (PubChem CID 79361701) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
PubChem CID79361701
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2ccc(F)c(CN)c2F)C1(C)C
InChIInChI=1S/C14H20F2N2O2S/c1-13(2)12(14(13,3)4)18-21(19,20)10-6-5-9(15)8(7-17)11(10)16/h5-6,12,18H,7,17H2,1-4H3
InChIKeyNQMCSYDALKYUJV-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide with MolForge

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Related Compounds

2-(aminomethyl)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357983
3-amino-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 107343683
4-amino-2-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79352947
3-(aminomethyl)-2,4-difluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053770
3-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-2,4-difluorobenzenesulfonamide
CID 106065762
3-(aminomethyl)-2,4-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 106057064
2-fluoro-5-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79359868
3-(aminomethyl)-2,4-difluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088649
3-(aminomethyl)-2,4-difluoro-N-[1-(1H-imidazol-2-yl)ethyl]benzenesulfonamide
CID 106085041
3-(aminomethyl)-2,4-difluoro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016034
2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360538
5-fluoro-2-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 102920876

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide (CID 79361701) is 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is CC1(C)C(NS(=O)(=O)c2ccc(F)c(CN)c2F)C1(C)C.
What is the InChIKey of 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
The InChIKey is NQMCSYDALKYUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-13(2)12(14(13,3)4)18-21(19,20)10-6-5-9(15)8(7-17)11(10)16/h5-6,12,18H,7,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide?
3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 79361701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).