N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide

C15H13BrFNO2S — CID 52669958

IUPACN-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO2S/c16-12-3-1-11(2-4-12)15(9-10-15)18-21(19,20)14-7-5-13(17)6-8-14/h1-8,18H,9-10H2
InChIKeyWDMNMOWWBUPORM-UHFFFAOYSA-N
MW370.24 g/mol
LogP3.56
Rot. Bonds4

About N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide

N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide (PubChem CID 52669958) has the molecular formula C15H13BrFNO2S and a molecular weight of 370.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide
PubChem CID52669958
Molecular FormulaC15H13BrFNO2S
Molecular Weight370.24 g/mol
Exact Mass368.98
IUPAC NameN-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1(c2ccc(Br)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C15H13BrFNO2S/c16-12-3-1-11(2-4-12)15(9-10-15)18-21(19,20)14-7-5-13(17)6-8-14/h1-8,18H,9-10H2
InChIKeyWDMNMOWWBUPORM-UHFFFAOYSA-N
XLogP3.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide (CID 52669958) is N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide is O=S(=O)(NC1(c2ccc(Br)cc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide?
The InChIKey is WDMNMOWWBUPORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2S/c16-12-3-1-11(2-4-12)15(9-10-15)18-21(19,20)14-7-5-13(17)6-8-14/h1-8,18H,9-10H2.
What are the key properties of N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide?
N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide has a molecular weight of 370.24 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)cyclopropyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 52669958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).