N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide

C18H11Cl2NO2S2 — CID 3600344

IUPACN-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2cc3ccccc3cc2c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C18H11Cl2NO2S2/c19-17-10-16(18(20)24-17)25(22,23)21-15-6-5-13-7-11-3-1-2-4-12(11)8-14(13)9-15/h1-10,21H
InChIKeyNKMNIOZWKXFZIL-UHFFFAOYSA-N
MW408.33 g/mol
LogP6.16
Rot. Bonds3

About N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide

N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide (PubChem CID 3600344) has the molecular formula C18H11Cl2NO2S2 and a molecular weight of 408.33 g/mol. Its IUPAC name is N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
PubChem CID3600344
Molecular FormulaC18H11Cl2NO2S2
Molecular Weight408.33 g/mol
Exact Mass406.96
IUPAC NameN-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2cc3ccccc3cc2c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C18H11Cl2NO2S2/c19-17-10-16(18(20)24-17)25(22,23)21-15-6-5-13-7-11-3-1-2-4-12(11)8-14(13)9-15/h1-10,21H
InChIKeyNKMNIOZWKXFZIL-UHFFFAOYSA-N
XLogP6.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.33
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
CID 18289175
N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 24656569
2,5-dichloro-N-[4-(2-chloroethyl)phenyl]thiophene-3-sulfonamide
CID 65030855
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzenecarbothioamide
CID 43344174
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572
2,5-dichloro-N-[3-(diethylsulfamoyl)-4-methylphenyl]thiophene-3-sulfonamide
CID 55365500
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43520652

Frequently Asked Questions

What is the IUPAC name of N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide?
The IUPAC name of N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide (CID 3600344) is N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide.
What is the SMILES notation for N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide?
The canonical SMILES for N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide is O=S(=O)(Nc1ccc2cc3ccccc3cc2c1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide?
The InChIKey is NKMNIOZWKXFZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2NO2S2/c19-17-10-16(18(20)24-17)25(22,23)21-15-6-5-13-7-11-3-1-2-4-12(11)8-14(13)9-15/h1-10,21H.
What are the key properties of N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide?
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide has a molecular weight of 408.33 g/mol, XLogP of 6.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide is sourced from PubChem (CID 3600344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).