(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide

C17H18ClFN2O4S — CID 28549552

IUPAC(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C17H18ClFN2O4S/c1-10-4-6-13(19)9-14(10)20-17(22)11(2)21-26(23,24)16-8-12(18)5-7-15(16)25-3/h4-9,11,21H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyBIKVUVGMOZVXHH-LLVKDONJSA-N
MW400.86 g/mol
LogP3.10
Rot. Bonds6

About (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide

(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 28549552) has the molecular formula C17H18ClFN2O4S and a molecular weight of 400.86 g/mol. Its IUPAC name is (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID28549552
Molecular FormulaC17H18ClFN2O4S
Molecular Weight400.86 g/mol
Exact Mass400.07
IUPAC Name(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C17H18ClFN2O4S/c1-10-4-6-13(19)9-14(10)20-17(22)11(2)21-26(23,24)16-8-12(18)5-7-15(16)25-3/h4-9,11,21H,1-3H3,(H,20,22)/t11-/m1/s1
InChIKeyBIKVUVGMOZVXHH-LLVKDONJSA-N
XLogP3.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890617
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43906630
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 124548996
N-(2,4-difluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonylamino]propanamide
CID 43890502
N-(2,6-dichlorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890621
N-(2,6-difluorophenyl)-2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890625
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 126398525
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
(2R)-N-(5-fluoro-2-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540516
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7376444
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890558

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide (CID 28549552) is (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide is COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is BIKVUVGMOZVXHH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18ClFN2O4S/c1-10-4-6-13(19)9-14(10)20-17(22)11(2)21-26(23,24)16-8-12(18)5-7-15(16)25-3/h4-9,11,21H,1-3H3,(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide?
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 400.86 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 28549552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).