2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide

C22H24ClN3O4S — CID 23645815

IUPAC2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C22H24ClN3O4S/c1-15(22(27)24-28)26(14-16-8-4-5-11-19(16)23)31(29,30)21-13-7-9-17-18(21)10-6-12-20(17)25(2)3/h4-13,15,28H,14H2,1-3H3,(H,24,27)
InChIKeyCHXSTFRHFFMWAQ-UHFFFAOYSA-N
MW461.97 g/mol
LogP3.64
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide

2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide (PubChem CID 23645815) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide
PubChem CID23645815
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC Name2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide
SMILESCC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C22H24ClN3O4S/c1-15(22(27)24-28)26(14-16-8-4-5-11-19(16)23)31(29,30)21-13-7-9-17-18(21)10-6-12-20(17)25(2)3/h4-13,15,28H,14H2,1-3H3,(H,24,27)
InChIKeyCHXSTFRHFFMWAQ-UHFFFAOYSA-N
XLogP3.64
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 53.64
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

Dan-D-Tic-NHOH
CID 10717277
hydroxamate deriv. B30
CID 23645813
hydroxamate deriv. B31
CID 23645814
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methyl-N~1~-(5,6,7,8-tetrahydro-1-naphthalenyl)glycinamide
CID 2215872
N-[(4-chlorophenyl)methyl]-2-(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)acetamide
CID 4007926
2-[(5-Dimethylamino-naphthalene-1-sulfonyl)-(4-nitro-benzyl)-amino]-N-hydroxy-acetamide
CID 10742536
2-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-N-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 23523893
N-Hydroxy-2-[(naphthalene-1-sulfonyl)-(2-nitro-benzyl)-amino]-propionamide
CID 44312125
2-[(5-Dimethylamino-naphthalene-1-sulfonyl)-(2-nitro-benzyl)-amino]-N-hydroxy-propionamide
CID 44312137
6-[[2-(benzylamino)-2-oxoethyl]-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyhexanamide
CID 155512401
N-(4-chlorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 3847484
Carboxylic acid deriv. A32
CID 23645785

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide (CID 23645815) is 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide is CC(C(=O)NO)N(Cc1ccccc1Cl)S(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide?
The InChIKey is CHXSTFRHFFMWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-15(22(27)24-28)26(14-16-8-4-5-11-19(16)23)31(29,30)21-13-7-9-17-18(21)10-6-12-20(17)25(2)3/h4-13,15,28H,14H2,1-3H3,(H,24,27).
What are the key properties of 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide?
2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide has a molecular weight of 461.97 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxypropanamide is sourced from PubChem (CID 23645815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).