2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide

C12H17BrN2O3S — CID 4312518

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-3-8-14-12(16)9(2)15-19(17,18)11-6-4-10(13)5-7-11/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyZPIBDHZJPNLLML-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.64
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide

2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 4312518) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
PubChem CID4312518
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O3S/c1-3-8-14-12(16)9(2)15-19(17,18)11-6-4-10(13)5-7-11/h4-7,9,15H,3,8H2,1-2H3,(H,14,16)
InChIKeyZPIBDHZJPNLLML-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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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
2-[(4-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 5039910
(2R)-2-[(3-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 8800873
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
(2R)-2-[(4-nitrophenyl)sulfonylamino]-N-propylpropanamide
CID 8800730
2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
CID 4531040
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
2-[[4-(2-aminoethyl)phenyl]sulfonylamino]-N-propylpropanamide
CID 79185012
ethyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfamoyl]benzoate
CID 8800833
2-[(6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-propylpropanamide
CID 61250492
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 1093339
2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide
CID 50740584

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide (CID 4312518) is 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is ZPIBDHZJPNLLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c1-3-8-14-12(16)9(2)15-19(17,18)11-6-4-10(13)5-7-11/h4-7,9,15H,3,8H2,1-2H3,(H,14,16).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide?
2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide 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 2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 4312518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).