N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide

C17H19BrN2O3S — CID 17192390

IUPACN-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-20(13-14-5-3-2-4-6-14)17(21)11-12-19-24(22,23)16-9-7-15(18)8-10-16/h2-10,19H,11-13H2,1H3
InChIKeyFPTJAAGTPDHJKO-UHFFFAOYSA-N
MW411.32 g/mol
LogP2.78
Rot. Bonds7

About N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide

N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide (PubChem CID 17192390) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
PubChem CID17192390
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC NameN-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O3S/c1-20(13-14-5-3-2-4-6-14)17(21)11-12-19-24(22,23)16-9-7-15(18)8-10-16/h2-10,19H,11-13H2,1H3
InChIKeyFPTJAAGTPDHJKO-UHFFFAOYSA-N
XLogP2.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192886
N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
CID 55334609
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-propylpropanamide
CID 43007201
3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide
CID 55580381
3-[(4-bromophenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38075553
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693
N-[(4-chlorophenyl)methyl]-N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26594048
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
N-[(4-cyanophenyl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 39860929
N-benzyl-N-methyl-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992432
3-[(4-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 52572597
3-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480766

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide (CID 17192390) is N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide?
The InChIKey is FPTJAAGTPDHJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-20(13-14-5-3-2-4-6-14)17(21)11-12-19-24(22,23)16-9-7-15(18)8-10-16/h2-10,19H,11-13H2,1H3.
What are the key properties of N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide?
N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide has a molecular weight of 411.32 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 17192390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).