N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide

C14H13ClN2O4S — CID 22719116

IUPACN-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(O)c(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C14H13ClN2O4S/c1-9(18)16-12-8-14(19)13(7-11(12)15)17-22(20,21)10-5-3-2-4-6-10/h2-8,17,19H,1H3,(H,16,18)
InChIKeyYQSIQCQVIMTESG-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.80
Rot. Bonds4

About N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide

N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide (PubChem CID 22719116) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide
PubChem CID22719116
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC NameN-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1cc(O)c(NS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C14H13ClN2O4S/c1-9(18)16-12-8-14(19)13(7-11(12)15)17-22(20,21)10-5-3-2-4-6-10/h2-8,17,19H,1H3,(H,16,18)
InChIKeyYQSIQCQVIMTESG-UHFFFAOYSA-N
XLogP2.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide?
The IUPAC name of N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide (CID 22719116) is N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide is CC(=O)Nc1cc(O)c(NS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide?
The InChIKey is YQSIQCQVIMTESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-9(18)16-12-8-14(19)13(7-11(12)15)17-22(20,21)10-5-3-2-4-6-10/h2-8,17,19H,1H3,(H,16,18).
What are the key properties of N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide?
N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide has a molecular weight of 340.79 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide is sourced from PubChem (CID 22719116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).