5-bromo-2-propan-2-yloxybenzenesulfonamide

C9H12BrNO3S — CID 62104987

IUPAC5-bromo-2-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C9H12BrNO3S/c1-6(2)14-8-4-3-7(10)5-9(8)15(11,12)13/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyYXKLZXHIJQUVIN-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.88
Rot. Bonds3

About 5-bromo-2-propan-2-yloxybenzenesulfonamide

5-bromo-2-propan-2-yloxybenzenesulfonamide (PubChem CID 62104987) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-bromo-2-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-propan-2-yloxybenzenesulfonamide
PubChem CID62104987
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name5-bromo-2-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(Br)cc1S(N)(=O)=O
InChIInChI=1S/C9H12BrNO3S/c1-6(2)14-8-4-3-7(10)5-9(8)15(11,12)13/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyYXKLZXHIJQUVIN-UHFFFAOYSA-N
XLogP1.88
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1236384
CID 1236384
CID 882981
CID 882981
CID 2321418
CID 2321418
CID 520020
CID 520020
CID 700232
CID 700232
CID 700235
CID 700235
CID 2933068
CID 2933068
CID 935464
CID 935464
CID 3688333
CID 3688333
CID 1587715
CID 1587715
CID 2561928
CID 2561928
CID 2930814
CID 2930814

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 5-bromo-2-propan-2-yloxybenzenesulfonamide (CID 62104987) is 5-bromo-2-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 5-bromo-2-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(Br)cc1S(N)(=O)=O.
What is the InChIKey of 5-bromo-2-propan-2-yloxybenzenesulfonamide?
The InChIKey is YXKLZXHIJQUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-6(2)14-8-4-3-7(10)5-9(8)15(11,12)13/h3-6H,1-2H3,(H2,11,12,13).
What are the key properties of 5-bromo-2-propan-2-yloxybenzenesulfonamide?
5-bromo-2-propan-2-yloxybenzenesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 62104987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).