3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide

C17H17BrClFN2O3S — CID 36556286

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C17H17BrClFN2O3S/c1-22(11-14-15(19)6-3-7-16(14)20)17(23)8-9-21-26(24,25)13-5-2-4-12(18)10-13/h2-7,10,21H,8-9,11H2,1H3
InChIKeySEXYELVHJNZWED-UHFFFAOYSA-N
MW463.76 g/mol
LogP3.57
Rot. Bonds7

About 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide

3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 36556286) has the molecular formula C17H17BrClFN2O3S and a molecular weight of 463.76 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID36556286
Molecular FormulaC17H17BrClFN2O3S
Molecular Weight463.76 g/mol
Exact Mass461.98
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CCNS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C17H17BrClFN2O3S/c1-22(11-14-15(19)6-3-7-16(14)20)17(23)8-9-21-26(24,25)13-5-2-4-12(18)10-13/h2-7,10,21H,8-9,11H2,1H3
InChIKeySEXYELVHJNZWED-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide (CID 36556286) is 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1c(F)cccc1Cl)C(=O)CCNS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is SEXYELVHJNZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClFN2O3S/c1-22(11-14-15(19)6-3-7-16(14)20)17(23)8-9-21-26(24,25)13-5-2-4-12(18)10-13/h2-7,10,21H,8-9,11H2,1H3.
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide?
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 463.76 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 36556286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).