N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide

C15H25FN2O2S — CID 79664134

IUPACN-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H25FN2O2S/c1-5-8-18(11-15(3,4)10-17)21(19,20)13-7-6-12(2)14(16)9-13/h6-7,9H,5,8,10-11,17H2,1-4H3
InChIKeyWVCRGGPDGVBFTB-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.52
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide

N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide (PubChem CID 79664134) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
PubChem CID79664134
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide
SMILESCCCN(CC(C)(C)CN)S(=O)(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H25FN2O2S/c1-5-8-18(11-15(3,4)10-17)21(19,20)13-7-6-12(2)14(16)9-13/h6-7,9H,5,8,10-11,17H2,1-4H3
InChIKeyWVCRGGPDGVBFTB-UHFFFAOYSA-N
XLogP2.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-4-chloro-2-methyl-N-propylbenzenesulfonamide
CID 79664112
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332
N-(2-aminoethyl)-3,4-dimethyl-N-propylbenzenesulfonamide
CID 55150398
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 79667940
3-fluoro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107483804
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 79667869
4-amino-3-fluoro-N-propyl-N-prop-2-ynylbenzenesulfonamide
CID 82843671
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119991472
N-(3-amino-2,2-dimethylpropyl)-2-methoxy-N-propylbenzenesulfonamide
CID 79664152
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-2-fluorobenzenesulfonamide
CID 79667782
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
3-amino-5-fluoro-4-methyl-N,N-dipropylbenzenesulfonamide
CID 116791316

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide (CID 79664134) is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide is CCCN(CC(C)(C)CN)S(=O)(=O)c1ccc(C)c(F)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide?
The InChIKey is WVCRGGPDGVBFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-5-8-18(11-15(3,4)10-17)21(19,20)13-7-6-12(2)14(16)9-13/h6-7,9H,5,8,10-11,17H2,1-4H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide?
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 79664134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).