3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

C15H25FN2O2S — CID 102903345

IUPAC3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCC(C(C)C)C(C)C)cc1F
InChIInChI=1S/C15H25FN2O2S/c1-9(2)13(10(3)4)8-18-21(19,20)12-6-14(16)11(5)15(17)7-12/h6-7,9-10,13,18H,8,17H2,1-5H3
InChIKeyHIUKMFMTRCQUJS-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.92
Rot. Bonds6

About 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide

3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (PubChem CID 102903345) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
PubChem CID102903345
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCC(C(C)C)C(C)C)cc1F
InChIInChI=1S/C15H25FN2O2S/c1-9(2)13(10(3)4)8-18-21(19,20)12-6-14(16)11(5)15(17)7-12/h6-7,9-10,13,18H,8,17H2,1-5H3
InChIKeyHIUKMFMTRCQUJS-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903371
3-amino-N-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 116791407
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
3-amino-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 116791454
3-amino-N-(3-ethylpentan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791888
3-amino-5-fluoro-N-hexyl-4-methylbenzenesulfonamide
CID 116791617
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 116791774
N-[2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 116791512
3-amino-5-fluoro-4-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102694383
3-amino-N-[2-(dimethylsulfamoyl)ethyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106333627
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-ethylacetamide
CID 116791519

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide (CID 102903345) is 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NCC(C(C)C)C(C)C)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
The InChIKey is HIUKMFMTRCQUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-9(2)13(10(3)4)8-18-21(19,20)12-6-14(16)11(5)15(17)7-12/h6-7,9-10,13,18H,8,17H2,1-5H3.
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide?
3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide is sourced from PubChem (CID 102903345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).