2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide

C15H23BrN2O3S — CID 50740584

IUPAC2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O3S/c1-4-10-18(11-5-2)15(19)12(3)17-22(20,21)14-8-6-13(16)7-9-14/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyMUAFLZNMXZSPEX-UHFFFAOYSA-N
MW391.33 g/mol
LogP2.76
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide

2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide (PubChem CID 50740584) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide
PubChem CID50740584
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O3S/c1-4-10-18(11-5-2)15(19)12(3)17-22(20,21)14-8-6-13(16)7-9-14/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyMUAFLZNMXZSPEX-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 4312518
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-butylpropanamide
CID 40579947
3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide
CID 50740399
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 41330953
2-[(4-amino-3-bromophenyl)sulfonylamino]-N,N-diethylpropanamide
CID 115597824
2-[(4-bromophenyl)sulfonylamino]-N-prop-2-enylpropanamide
CID 4531040
2-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbutanamide
CID 110497943
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182
(2S)-2-(benzenesulfonamido)-N,N-dibenzylpropanamide
CID 41330771
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide (CID 50740584) is 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C(C)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide?
The InChIKey is MUAFLZNMXZSPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-4-10-18(11-5-2)15(19)12(3)17-22(20,21)14-8-6-13(16)7-9-14/h6-9,12,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide?
2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide has a molecular weight of 391.33 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N,N-dipropylpropanamide is sourced from PubChem (CID 50740584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).