1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide

C10H15FN2O4S2 — CID 47358633

IUPAC1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H15FN2O4S2/c1-3-7(2)13-19(16,17)10-5-4-8(6-9(10)11)18(12,14)15/h4-7,13H,3H2,1-2H3,(H2,12,14,15)
InChIKeyMZIJMRWDTWKVGS-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.55
Rot. Bonds5

About 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide

1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide (PubChem CID 47358633) has the molecular formula C10H15FN2O4S2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide.

Molecular Properties

Compound Name1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide
PubChem CID47358633
Molecular FormulaC10H15FN2O4S2
Molecular Weight310.37 g/mol
Exact Mass310.05
IUPAC Name1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F
InChIInChI=1S/C10H15FN2O4S2/c1-3-7(2)13-19(16,17)10-5-4-8(6-9(10)11)18(12,14)15/h4-7,13H,3H2,1-2H3,(H2,12,14,15)
InChIKeyMZIJMRWDTWKVGS-UHFFFAOYSA-N
XLogP0.55
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-1-N-(4-methoxybutan-2-yl)benzene-1,4-disulfonamide
CID 62734262
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
2-fluoro-1-N-hex-5-yn-3-ylbenzene-1,4-disulfonamide
CID 115650539
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-bromo-2-fluoro-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 116528688
4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 114140395
3-acetyl-N-[(2R)-butan-2-yl]-4-fluorobenzenesulfonamide
CID 118684025
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide?
The IUPAC name of 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide (CID 47358633) is 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide.
What is the SMILES notation for 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide?
The canonical SMILES for 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide is CCC(C)NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1F.
What is the InChIKey of 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide?
The InChIKey is MZIJMRWDTWKVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S2/c1-3-7(2)13-19(16,17)10-5-4-8(6-9(10)11)18(12,14)15/h4-7,13H,3H2,1-2H3,(H2,12,14,15).
What are the key properties of 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide?
1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide has a molecular weight of 310.37 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide is sourced from PubChem (CID 47358633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).