N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide

C18H15ClN2O5S2 — CID 2293499

IUPACN-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C18H15ClN2O5S2/c19-16-11-13(20-27(23,24)14-7-3-1-4-8-14)12-17(18(16)22)21-28(25,26)15-9-5-2-6-10-15/h1-12,20-22H
InChIKeyMHPSHWUYGWRDOU-UHFFFAOYSA-N
MW438.91 g/mol
LogP3.65
Rot. Bonds6

About N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide

N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide (PubChem CID 2293499) has the molecular formula C18H15ClN2O5S2 and a molecular weight of 438.91 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
PubChem CID2293499
Molecular FormulaC18H15ClN2O5S2
Molecular Weight438.91 g/mol
Exact Mass438.01
IUPAC NameN-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(O)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C18H15ClN2O5S2/c19-16-11-13(20-27(23,24)14-7-3-1-4-8-14)12-17(18(16)22)21-28(25,26)15-9-5-2-6-10-15/h1-12,20-22H
InChIKeyMHPSHWUYGWRDOU-UHFFFAOYSA-N
XLogP3.65
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 58761533
N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide
CID 5208228
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
N-(4-anilino-3-chlorophenyl)benzenesulfonamide
CID 14669536
N-[4-(benzenesulfonamido)-2,6-dichloro-3-hydroxyphenyl]acetamide
CID 22719120
N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 5208234
4-chloro-N-(3-chloro-2-hydroxyphenyl)benzenesulfonamide
CID 78995718
N-[4-(benzenesulfonamido)-2-chloro-5-hydroxyphenyl]acetamide
CID 22719116

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide?
The IUPAC name of N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide (CID 2293499) is N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(O)c(NS(=O)(=O)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide?
The InChIKey is MHPSHWUYGWRDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5S2/c19-16-11-13(20-27(23,24)14-7-3-1-4-8-14)12-17(18(16)22)21-28(25,26)15-9-5-2-6-10-15/h1-12,20-22H.
What are the key properties of N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide?
N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide has a molecular weight of 438.91 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide is sourced from PubChem (CID 2293499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).