4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide

C21H14Cl2N2O3S — CID 67931068

IUPAC4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc3ncccc3c2)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N2O3S/c22-15-3-7-18(8-4-15)29(26,27)25-16-5-10-21(19(23)13-16)28-17-6-9-20-14(12-17)2-1-11-24-20/h1-13,25H
InChIKeyKYORJTFHRMNTAP-UHFFFAOYSA-N
MW445.33 g/mol
LogP6.13
Rot. Bonds5

About 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide

4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide (PubChem CID 67931068) has the molecular formula C21H14Cl2N2O3S and a molecular weight of 445.33 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide
PubChem CID67931068
Molecular FormulaC21H14Cl2N2O3S
Molecular Weight445.33 g/mol
Exact Mass444.01
IUPAC Name4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2ccc3ncccc3c2)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H14Cl2N2O3S/c22-15-3-7-18(8-4-15)29(26,27)25-16-5-10-21(19(23)13-16)28-17-6-9-20-14(12-17)2-1-11-24-20/h1-13,25H
InChIKeyKYORJTFHRMNTAP-UHFFFAOYSA-N
XLogP6.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.33
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide
CID 19769793
3-chloro-4-quinolin-6-yloxyaniline
CID 13490789
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
2-chloro-N-quinolin-6-ylbenzenesulfonamide
CID 25040814
N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]pyridine-3-sulfonamide
CID 23515243
N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370063
2-chloro-6-fluoro-N-quinolin-6-ylbenzenesulfonamide
CID 75458673
N-(3-chloro-4-ethoxyphenyl)-4-methoxybenzenesulfonamide
CID 110777436
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
3-[(dimethylamino)methyl]-N-methyl-4-quinolin-6-yloxybenzenesulfonamide
CID 23001827
6-chloro-N-(3-methyl-4-naphthalen-2-yloxyphenyl)pyridine-3-sulfonamide
CID 142036672
6-oxo-N-quinolin-6-yl-1H-pyridine-3-sulfonamide
CID 62636555

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide (CID 67931068) is 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2ccc3ncccc3c2)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide?
The InChIKey is KYORJTFHRMNTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3S/c22-15-3-7-18(8-4-15)29(26,27)25-16-5-10-21(19(23)13-16)28-17-6-9-20-14(12-17)2-1-11-24-20/h1-13,25H.
What are the key properties of 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide?
4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide has a molecular weight of 445.33 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 67931068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).