3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide

C16H17ClN2O5S — CID 174684850

IUPAC3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide
SMILESCOc1cccc(S(=O)(=O)N(CCC(=O)NO)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O5S/c1-24-14-3-2-4-15(11-14)25(22,23)19(10-9-16(20)18-21)13-7-5-12(17)6-8-13/h2-8,11,21H,9-10H2,1H3,(H,18,20)
InChIKeyVPFWBWHMMOMFIW-UHFFFAOYSA-N
MW384.84 g/mol
LogP2.44
Rot. Bonds7

About 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide

3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide (PubChem CID 174684850) has the molecular formula C16H17ClN2O5S and a molecular weight of 384.84 g/mol. Its IUPAC name is 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide.

Molecular Properties

Compound Name3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide
PubChem CID174684850
Molecular FormulaC16H17ClN2O5S
Molecular Weight384.84 g/mol
Exact Mass384.05
IUPAC Name3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide
SMILESCOc1cccc(S(=O)(=O)N(CCC(=O)NO)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O5S/c1-24-14-3-2-4-15(11-14)25(22,23)19(10-9-16(20)18-21)13-7-5-12(17)6-8-13/h2-8,11,21H,9-10H2,1H3,(H,18,20)
InChIKeyVPFWBWHMMOMFIW-UHFFFAOYSA-N
XLogP2.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
CID 142976543
4-(N-(4-chlorophenyl)sulfonyl-3-methoxyanilino)butanoic acid
CID 50891498
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 53280087
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-phenylacetamide
CID 1334368
2-(N-(4-chlorophenyl)sulfonyl-4-methoxyanilino)-N-phenylacetamide
CID 4882632
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2,3-dichlorophenyl)acetamide
CID 21372845
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 92661778
3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 81259042
N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 19211456
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide?
The IUPAC name of 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide (CID 174684850) is 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide.
What is the SMILES notation for 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide?
The canonical SMILES for 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide is COc1cccc(S(=O)(=O)N(CCC(=O)NO)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide?
The InChIKey is VPFWBWHMMOMFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O5S/c1-24-14-3-2-4-15(11-14)25(22,23)19(10-9-16(20)18-21)13-7-5-12(17)6-8-13/h2-8,11,21H,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide?
3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide has a molecular weight of 384.84 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-N-(3-methoxyphenyl)sulfonylanilino)-N-hydroxypropanamide is sourced from PubChem (CID 174684850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).