3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride

C13H18FNO4S2 — CID 114791465

IUPAC3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCCCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C13H18FNO4S2/c1-2-3-9-15(11-7-8-11)21(18,19)13-6-4-5-12(10-13)20(14,16)17/h4-6,10-11H,2-3,7-9H2,1H3
InChIKeyRSDNVTCLHNSIRR-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.30
Rot. Bonds7

About 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride

3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride (PubChem CID 114791465) has the molecular formula C13H18FNO4S2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
PubChem CID114791465
Molecular FormulaC13H18FNO4S2
Molecular Weight335.42 g/mol
Exact Mass335.07
IUPAC Name3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride
SMILESCCCCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1
InChIInChI=1S/C13H18FNO4S2/c1-2-3-9-15(11-7-8-11)21(18,19)13-6-4-5-12(10-13)20(14,16)17/h4-6,10-11H,2-3,7-9H2,1H3
InChIKeyRSDNVTCLHNSIRR-UHFFFAOYSA-N
XLogP2.30
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269
N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 60751133
3-(aminomethyl)-N-butyl-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63288985
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217
3-(3-aminoprop-1-ynyl)-N-butyl-N-cyclopropylbenzenesulfonamide
CID 61444206
3-amino-N-butyl-N-cyclopropyl-4-methylbenzenesulfonamide
CID 61112985
N-butyl-N-cyclopropyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421960
N-butyl-3-cyano-N-cyclopropyl-4-fluorobenzenesulfonamide
CID 63239480
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
N-butyl-4-cyano-N-cyclopropyl-3-methylbenzenesulfonamide
CID 106833026
N-butyl-N-cyclopropyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 61443459
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 60751139

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride (CID 114791465) is 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride is CCCCN(C1CC1)S(=O)(=O)c1cccc(S(=O)(=O)F)c1.
What is the InChIKey of 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride?
The InChIKey is RSDNVTCLHNSIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4S2/c1-2-3-9-15(11-7-8-11)21(18,19)13-6-4-5-12(10-13)20(14,16)17/h4-6,10-11H,2-3,7-9H2,1H3.
What are the key properties of 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride?
3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride has a molecular weight of 335.42 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(cyclopropyl)sulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114791465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).