2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide

C11H17FN2O2S — CID 43271672

IUPAC2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H17FN2O2S/c1-8(2)7-14(3)17(15,16)11-5-4-9(12)6-10(11)13/h4-6,8H,7,13H2,1-3H3
InChIKeyPQNBIOJARSGSBX-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.68
Rot. Bonds4

About 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide

2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43271672) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43271672
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC Name2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CN(C)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C11H17FN2O2S/c1-8(2)7-14(3)17(15,16)11-5-4-9(12)6-10(11)13/h4-6,8H,7,13H2,1-3H3
InChIKeyPQNBIOJARSGSBX-UHFFFAOYSA-N
XLogP1.68
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.68
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

2-Aminobenzenesulfonamide
CID 72894
4-amino-N,N-diethylbenzene-1-sulfonamide
CID 95067
2-Amino-N-cyclohexyl-N-methylbenzenesulfonamide
CID 116814
Benzenesulfonamide, 4-amino-N,N-dimethyl-
CID 74369
4-amino-N-propylbenzenesulfonamide
CID 2065546
4-Amino-N-(2-methylpropyl)benzenesulfonamide
CID 860617
4-Amino-N-(2-(dimethylamino)ethyl)benzenesulfonamide
CID 203438
2-amino-N-phenylbenzene-1-sulfonamide
CID 291711
3-amino-N,N-dimethylbenzene-1-sulfonamide
CID 235520
4-(Piperidine-1-sulfonyl)aniline
CID 236648
4-Amino-N-cyclohexyl-N-methylbenzene-1-sulfonamide
CID 344191
Benzenesulfonamide, 2-amino-N-ethyl-N-phenyl-
CID 66472

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 43271672) is 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide is CC(C)CN(C)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is PQNBIOJARSGSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-8(2)7-14(3)17(15,16)11-5-4-9(12)6-10(11)13/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide?
2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43271672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).