N-(3-bromo-4-methylphenyl)propane-1-sulfonamide

C10H14BrNO2S — CID 55027802

IUPACN-(3-bromo-4-methylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-6-15(13,14)12-9-5-4-8(2)10(11)7-9/h4-5,7,12H,3,6H2,1-2H3
InChIKeyDOIYDCXKSQIWGX-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.91
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)propane-1-sulfonamide

N-(3-bromo-4-methylphenyl)propane-1-sulfonamide (PubChem CID 55027802) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)propane-1-sulfonamide
PubChem CID55027802
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC NameN-(3-bromo-4-methylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-6-15(13,14)12-9-5-4-8(2)10(11)7-9/h4-5,7,12H,3,6H2,1-2H3
InChIKeyDOIYDCXKSQIWGX-UHFFFAOYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)propane-1-sulfonamide (CID 55027802) is N-(3-bromo-4-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)propane-1-sulfonamide?
The InChIKey is DOIYDCXKSQIWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-6-15(13,14)12-9-5-4-8(2)10(11)7-9/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of N-(3-bromo-4-methylphenyl)propane-1-sulfonamide?
N-(3-bromo-4-methylphenyl)propane-1-sulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 55027802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).