3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid

C19H16ClNO4S — CID 139827869

IUPAC3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO4S/c20-15-10-8-14(9-11-15)17(12-19(22)23)21-26(24,25)18-7-3-5-13-4-1-2-6-16(13)18/h1-11,17,21H,12H2,(H,22,23)
InChIKeyZVONERGWKUSZGG-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.99
Rot. Bonds6

About 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid

3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid (PubChem CID 139827869) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
PubChem CID139827869
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H16ClNO4S/c20-15-10-8-14(9-11-15)17(12-19(22)23)21-26(24,25)18-7-3-5-13-4-1-2-6-16(13)18/h1-11,17,21H,12H2,(H,22,23)
InChIKeyZVONERGWKUSZGG-UHFFFAOYSA-N
XLogP3.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]naphthalene-1-sulfonamide
CID 3415984
(3R)-3-(4-chlorophenyl)-3-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 1266491
(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 726567
4-chloro-N-[(1S)-2-(naphthalen-1-ylamino)-1-phenylethyl]benzenesulfonamide
CID 25358097
3-phenyl-3-[(2,4,6-trichlorophenyl)sulfonylamino]propanoic acid
CID 23002624
3-[3-[benzenesulfonyl-(diaminomethylideneamino)amino]phenyl]-3-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 70189319
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
methyl 3-(4-chlorophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoate
CID 3876135
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-naphthalen-1-ylbenzenesulfonamide
CID 69449595
3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 166273738

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid (CID 139827869) is 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid is O=C(O)CC(NS(=O)(=O)c1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid?
The InChIKey is ZVONERGWKUSZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c20-15-10-8-14(9-11-15)17(12-19(22)23)21-26(24,25)18-7-3-5-13-4-1-2-6-16(13)18/h1-11,17,21H,12H2,(H,22,23).
What are the key properties of 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid?
3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid has a molecular weight of 389.86 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(naphthalen-1-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 139827869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).