3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide

C14H20F2N2O2S — CID 107343235

IUPAC3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C14H20F2N2O2S/c1-18(10-6-4-2-3-5-7-10)21(19,20)12-9-8-11(15)14(17)13(12)16/h8-10H,2-7,17H2,1H3
InChIKeyICQYXZGDTPTMGF-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.89
Rot. Bonds3

About 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide

3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide (PubChem CID 107343235) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
PubChem CID107343235
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC Name3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCCCCC1)S(=O)(=O)c1ccc(F)c(N)c1F
InChIInChI=1S/C14H20F2N2O2S/c1-18(10-6-4-2-3-5-7-10)21(19,20)12-9-8-11(15)14(17)13(12)16/h8-10H,2-7,17H2,1H3
InChIKeyICQYXZGDTPTMGF-UHFFFAOYSA-N
XLogP2.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(cyclopentylmethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 107343551
5-amino-N-cycloheptyl-2,3-difluoro-N-methylbenzenesulfonamide
CID 65021039
2,4-dichloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 39116250
3-amino-N-cyclohexyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107325531
3-amino-N-cyclopropyl-2,4-difluoro-N-propylbenzenesulfonamide
CID 107343147
4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43255875
N-cycloheptyl-2-fluoro-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79178549
2-amino-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43266885
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
3-amino-N-butyl-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 107343278
3-amino-N-cyclobutyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326206
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide (CID 107343235) is 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide is CN(C1CCCCCC1)S(=O)(=O)c1ccc(F)c(N)c1F.
What is the InChIKey of 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide?
The InChIKey is ICQYXZGDTPTMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-18(10-6-4-2-3-5-7-10)21(19,20)12-9-8-11(15)14(17)13(12)16/h8-10H,2-7,17H2,1H3.
What are the key properties of 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide?
3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cycloheptyl-2,4-difluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 107343235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).