N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide

C26H22Cl2N2O6S2 — CID 58761533

IUPACN-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
SMILESCC(c1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O)c1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C26H22Cl2N2O6S2/c1-16(21-12-17(14-23(27)25(21)31)29-37(33,34)19-8-4-2-5-9-19)22-13-18(15-24(28)26(22)32)30-38(35,36)20-10-6-3-7-11-20/h2-16,29-32H,1H3
InChIKeyVOZJAPFVYIEDRN-UHFFFAOYSA-N
MW593.51 g/mol
LogP6.16
Rot. Bonds8

About N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide

N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide (PubChem CID 58761533) has the molecular formula C26H22Cl2N2O6S2 and a molecular weight of 593.51 g/mol. Its IUPAC name is N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
PubChem CID58761533
Molecular FormulaC26H22Cl2N2O6S2
Molecular Weight593.51 g/mol
Exact Mass592.03
IUPAC NameN-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
SMILESCC(c1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O)c1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O
InChIInChI=1S/C26H22Cl2N2O6S2/c1-16(21-12-17(14-23(27)25(21)31)29-37(33,34)19-8-4-2-5-9-19)22-13-18(15-24(28)26(22)32)30-38(35,36)20-10-6-3-7-11-20/h2-16,29-32H,1H3
InChIKeyVOZJAPFVYIEDRN-UHFFFAOYSA-N
XLogP6.16
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.51
LogP ≤ 56.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(benzenesulfonamido)-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 2293499
N-[3-chloro-5-(4-chloro-1-hydroxynaphthalen-2-yl)-4-hydroxyphenyl]benzenesulfonamide
CID 5208228
3-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82885473
3-bromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 82884313
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
N-[3-chloro-4-hydroxy-5-(2-methoxynaphthalen-1-yl)phenyl]benzenesulfonamide
CID 5208234
N-[3-(benzenesulfonyl)-4-hydroxy-5-propan-2-ylphenyl]-4-methoxybenzenesulfonamide
CID 3580331
N-(4-anilino-3-chlorophenyl)benzenesulfonamide
CID 14669536
4-(benzenesulfonamido)-2-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94013074
4-(benzenesulfonamido)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93486708
2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132674716
5-(benzenesulfonamido)-2-chloro-N-(3-methylbutyl)benzamide
CID 92673529

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide?
The IUPAC name of N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide (CID 58761533) is N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide is CC(c1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O)c1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1O.
What is the InChIKey of N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide?
The InChIKey is VOZJAPFVYIEDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O6S2/c1-16(21-12-17(14-23(27)25(21)31)29-37(33,34)19-8-4-2-5-9-19)22-13-18(15-24(28)26(22)32)30-38(35,36)20-10-6-3-7-11-20/h2-16,29-32H,1H3.
What are the key properties of N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide?
N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide has a molecular weight of 593.51 g/mol, XLogP of 6.16, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide is sourced from PubChem (CID 58761533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).