(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide

C19H17ClN2O4S — CID 72945426

IUPAC(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
SMILESC[C@@H](C(=O)NO)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17ClN2O4S/c1-13(19(23)21-24)22(17-9-7-16(20)8-10-17)27(25,26)18-11-6-14-4-2-3-5-15(14)12-18/h2-13,24H,1H3,(H,21,23)/t13-/m0/s1
InChIKeyZCWYTXLVKZIACQ-ZDUSSCGKSA-N
MW404.88 g/mol
LogP3.58
Rot. Bonds5

About (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide

(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide (PubChem CID 72945426) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
PubChem CID72945426
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC Name(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
SMILESC[C@@H](C(=O)NO)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17ClN2O4S/c1-13(19(23)21-24)22(17-9-7-16(20)8-10-17)27(25,26)18-11-6-14-4-2-3-5-15(14)12-18/h2-13,24H,1H3,(H,21,23)/t13-/m0/s1
InChIKeyZCWYTXLVKZIACQ-ZDUSSCGKSA-N
XLogP3.58
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945615
N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide
CID 72945225
2-[(4-chlorophenyl)sulfonyl-naphthalen-2-ylamino]propanoic acid
CID 50894055
(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256217
2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride
CID 50893823
4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 3436129
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-hydroxypropanamide
CID 23645796
2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890267
2-(N-(4-chlorophenyl)sulfonyl-4-iodoanilino)propanoic acid
CID 50891110
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide
CID 58256163
(2R)-2-[2-(2-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256174
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide?
The IUPAC name of (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide (CID 72945426) is (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide.
What is the SMILES notation for (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide?
The canonical SMILES for (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide is C[C@@H](C(=O)NO)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide?
The InChIKey is ZCWYTXLVKZIACQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-13(19(23)21-24)22(17-9-7-16(20)8-10-17)27(25,26)18-11-6-14-4-2-3-5-15(14)12-18/h2-13,24H,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide?
(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide has a molecular weight of 404.88 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide is sourced from PubChem (CID 72945426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).