3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide

C12H17BrN2O3S — CID 3241446

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-9(2)15-12(16)7-8-14-19(17,18)11-5-3-10(13)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyVZROLWUSYIODGL-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.64
Rot. Bonds6

About 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide

3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide (PubChem CID 3241446) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide
PubChem CID3241446
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-9(2)15-12(16)7-8-14-19(17,18)11-5-3-10(13)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyVZROLWUSYIODGL-UHFFFAOYSA-N
XLogP1.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide (CID 3241446) is 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
The InChIKey is VZROLWUSYIODGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-9(2)15-12(16)7-8-14-19(17,18)11-5-3-10(13)4-6-11/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide?
3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide has a molecular weight of 349.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 3241446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).