N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide

C19H11Cl3N2O3S2 — CID 90708185

IUPACN-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Oc2nc3c(Cl)cccc3s2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H11Cl3N2O3S2/c20-13-7-4-8-16-17(13)23-19(28-16)27-18-14(21)9-11(10-15(18)22)24-29(25,26)12-5-2-1-3-6-12/h1-10,24H
InChIKeyZNSUOZRTHDKHPA-UHFFFAOYSA-N
MW485.80 g/mol
LogP6.85
Rot. Bonds5

About N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide

N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide (PubChem CID 90708185) has the molecular formula C19H11Cl3N2O3S2 and a molecular weight of 485.80 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide
PubChem CID90708185
Molecular FormulaC19H11Cl3N2O3S2
Molecular Weight485.80 g/mol
Exact Mass483.93
IUPAC NameN-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(Oc2nc3c(Cl)cccc3s2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C19H11Cl3N2O3S2/c20-13-7-4-8-16-17(13)23-19(28-16)27-18-14(21)9-11(10-15(18)22)24-29(25,26)12-5-2-1-3-6-12/h1-10,24H
InChIKeyZNSUOZRTHDKHPA-UHFFFAOYSA-N
XLogP6.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.80
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
CID 16934023
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
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
2-[4-[4-(benzenesulfonamido)phenoxy]-3,5-dichlorophenyl]acetic acid
CID 10297746
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 91681034
N-[3,5-dichloro-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phenyl]benzenesulfonamide
CID 150624367
4,5-dibromo-N-(4-chloro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 25042715
N-(4-anilino-3-chlorophenyl)benzenesulfonamide
CID 14669536
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]benzenesulfonamide
CID 8004145
N-[3-[1-[5-(benzenesulfonamido)-3-chloro-2-hydroxyphenyl]ethyl]-5-chloro-4-hydroxyphenyl]benzenesulfonamide
CID 58761533

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide?
The IUPAC name of N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide (CID 90708185) is N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(Oc2nc3c(Cl)cccc3s2)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide?
The InChIKey is ZNSUOZRTHDKHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl3N2O3S2/c20-13-7-4-8-16-17(13)23-19(28-16)27-18-14(21)9-11(10-15(18)22)24-29(25,26)12-5-2-1-3-6-12/h1-10,24H.
What are the key properties of N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide?
N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide has a molecular weight of 485.80 g/mol, XLogP of 6.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 90708185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).