4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide

C13H19BrN2O3S — CID 113064845

IUPAC4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
SMILESCCCN(CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O3S/c1-3-9-16(20(2,18)19)10-8-15-13(17)11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyQEFYRSJLMYWIEI-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.85
Rot. Bonds7

About 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide

4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide (PubChem CID 113064845) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
PubChem CID113064845
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC Name4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide
SMILESCCCN(CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O
InChIInChI=1S/C13H19BrN2O3S/c1-3-9-16(20(2,18)19)10-8-15-13(17)11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyQEFYRSJLMYWIEI-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065961
4-bromo-N-[2-[2-methylpropyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065465
N-[2-[butyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065345
4-fluoro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068306
N-[2-[methylsulfonyl(pentyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 113068329
2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide
CID 113064894
3,4-dichloro-N-[2-[methylsulfonyl(pentyl)amino]ethyl]benzamide
CID 113068313
N-[2-[butyl(methylsulfonyl)amino]ethyl]-3,4-difluorobenzamide
CID 113065382
4-tert-butyl-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzamide
CID 113066394
4-bromo-N-pentylbenzamide
CID 4167913
4-bromo-3-chloro-N-[3-[ethyl(methylsulfonyl)amino]propyl]benzamide
CID 80974274
4-bromo-N-[2-(propylamino)ethyl]benzamide
CID 62658628

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide (CID 113064845) is 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide is CCCN(CCNC(=O)c1ccc(Br)cc1)S(C)(=O)=O.
What is the InChIKey of 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide?
The InChIKey is QEFYRSJLMYWIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-3-9-16(20(2,18)19)10-8-15-13(17)11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide?
4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide has a molecular weight of 363.28 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzamide is sourced from PubChem (CID 113064845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).