4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide

C10H13BrFNO2S — CID 177381772

IUPAC4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)NCC(C)F
InChIInChI=1S/C10H13BrFNO2S/c1-7-5-9(11)3-4-10(7)16(14,15)13-6-8(2)12/h3-5,8,13H,6H2,1-2H3
InChIKeyRAJGVYUBJQKOIT-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.39
Rot. Bonds4

About 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide

4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide (PubChem CID 177381772) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide
PubChem CID177381772
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC Name4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide
SMILESCc1cc(Br)ccc1S(=O)(=O)NCC(C)F
InChIInChI=1S/C10H13BrFNO2S/c1-7-5-9(11)3-4-10(7)16(14,15)13-6-8(2)12/h3-5,8,13H,6H2,1-2H3
InChIKeyRAJGVYUBJQKOIT-UHFFFAOYSA-N
XLogP2.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide (CID 177381772) is 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide is Cc1cc(Br)ccc1S(=O)(=O)NCC(C)F.
What is the InChIKey of 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide?
The InChIKey is RAJGVYUBJQKOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-7-5-9(11)3-4-10(7)16(14,15)13-6-8(2)12/h3-5,8,13H,6H2,1-2H3.
What are the key properties of 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide?
4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-fluoropropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 177381772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).