2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

C14H19BrN2O4S — CID 3157969

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H19BrN2O4S/c1-10(14(18)16-9-12-3-2-8-21-12)17-22(19,20)13-6-4-11(15)5-7-13/h4-7,10,12,17H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyJCQWVFVOLWGFRP-UHFFFAOYSA-N
MW391.29 g/mol
LogP1.41
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide

2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 3157969) has the molecular formula C14H19BrN2O4S and a molecular weight of 391.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID3157969
Molecular FormulaC14H19BrN2O4S
Molecular Weight391.29 g/mol
Exact Mass390.02
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H19BrN2O4S/c1-10(14(18)16-9-12-3-2-8-21-12)17-22(19,20)13-6-4-11(15)5-7-13/h4-7,10,12,17H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyJCQWVFVOLWGFRP-UHFFFAOYSA-N
XLogP1.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide (CID 3157969) is 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is CC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)NCC1CCCO1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is JCQWVFVOLWGFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O4S/c1-10(14(18)16-9-12-3-2-8-21-12)17-22(19,20)13-6-4-11(15)5-7-13/h4-7,10,12,17H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide?
2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 391.29 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 3157969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).