N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide

C14H12Cl2N2O4S — CID 22719120

IUPACN-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(NS(=O)(=O)c2ccccc2)c(O)c1Cl
InChIInChI=1S/C14H12Cl2N2O4S/c1-8(19)17-13-10(15)7-11(14(20)12(13)16)18-23(21,22)9-5-3-2-4-6-9/h2-7,18,20H,1H3,(H,17,19)
InChIKeyWUNPEJNCVUGVFQ-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.46
Rot. Bonds4

About N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide

N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide (PubChem CID 22719120) has the molecular formula C14H12Cl2N2O4S and a molecular weight of 375.23 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide
PubChem CID22719120
Molecular FormulaC14H12Cl2N2O4S
Molecular Weight375.23 g/mol
Exact Mass373.99
IUPAC NameN-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide
SMILESCC(=O)Nc1c(Cl)cc(NS(=O)(=O)c2ccccc2)c(O)c1Cl
InChIInChI=1S/C14H12Cl2N2O4S/c1-8(19)17-13-10(15)7-11(14(20)12(13)16)18-23(21,22)9-5-3-2-4-6-9/h2-7,18,20H,1H3,(H,17,19)
InChIKeyWUNPEJNCVUGVFQ-UHFFFAOYSA-N
XLogP3.46
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2,6-dichloro-3-hydroxy-4-(methanesulfonamido)phenyl]acetamide
CID 22719099
N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide
CID 22719116
N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133
2-(benzenesulfonamido)-3,5-dichlorobenzoic acid
CID 43235236
4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
CID 172866613
[2-(benzenesulfonamido)-4-chlorophenyl] acetate
CID 51700783
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]phenyl]acetamide
CID 113093718
4-tert-butyl-N-(3-chloro-4-hydroxynaphthalen-1-yl)benzenesulfonamide
CID 2398569
1-[2-(benzenesulfonamido)-4-cyanophenyl]-3-(2,3-dichlorophenyl)urea
CID 10367029
N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
4-chloro-N-[4-[(4-chlorophenyl)sulfonylamino]-3-[(Z)-2-hydroxy-4-oxopent-2-en-3-yl]naphthalen-1-yl]benzenesulfonamide
CID 6215666

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide?
The IUPAC name of N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide (CID 22719120) is N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide is CC(=O)Nc1c(Cl)cc(NS(=O)(=O)c2ccccc2)c(O)c1Cl.
What is the InChIKey of N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide?
The InChIKey is WUNPEJNCVUGVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4S/c1-8(19)17-13-10(15)7-11(14(20)12(13)16)18-23(21,22)9-5-3-2-4-6-9/h2-7,18,20H,1H3,(H,17,19).
What are the key properties of N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide?
N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide has a molecular weight of 375.23 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide is sourced from PubChem (CID 22719120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).