N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide

C17H20N2O4S — CID 108575024

IUPACN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(O)c2)c(C)c1
InChIInChI=1S/C17H20N2O4S/c1-12-6-7-16(13(2)10-12)24(22,23)19-9-8-18-17(21)14-4-3-5-15(20)11-14/h3-7,10-11,19-20H,8-9H2,1-2H3,(H,18,21)
InChIKeyDCPYWSPRRXCBJC-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.72
Rot. Bonds6

About N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide (PubChem CID 108575024) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
PubChem CID108575024
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(O)c2)c(C)c1
InChIInChI=1S/C17H20N2O4S/c1-12-6-7-16(13(2)10-12)24(22,23)19-9-8-18-17(21)14-4-3-5-15(20)11-14/h3-7,10-11,19-20H,8-9H2,1-2H3,(H,18,21)
InChIKeyDCPYWSPRRXCBJC-UHFFFAOYSA-N
XLogP1.72
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-methylbenzamide
CID 108574771
N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 108570759
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575028
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 108573230
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide
CID 108575021
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide (CID 108575024) is N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide is Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(O)c2)c(C)c1.
What is the InChIKey of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide?
The InChIKey is DCPYWSPRRXCBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-12-6-7-16(13(2)10-12)24(22,23)19-9-8-18-17(21)14-4-3-5-15(20)11-14/h3-7,10-11,19-20H,8-9H2,1-2H3,(H,18,21).
What are the key properties of N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide?
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide has a molecular weight of 348.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 108575024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).