2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide

C22H15Cl3N2O2S — CID 143971627

IUPAC2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C22H15Cl3N2O2S/c1-13-6-7-21(17(23)8-13)30(28)27-15-10-18(24)22(19(25)11-15)29-16-9-14-4-2-3-5-20(14)26-12-16/h2-12,27H,1H3
InChIKeyHUMUPERQRHHDBF-UHFFFAOYSA-N
MW477.80 g/mol
LogP7.43
Rot. Bonds5

About 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide

2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide (PubChem CID 143971627) has the molecular formula C22H15Cl3N2O2S and a molecular weight of 477.80 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide
PubChem CID143971627
Molecular FormulaC22H15Cl3N2O2S
Molecular Weight477.80 g/mol
Exact Mass475.99
IUPAC Name2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide
SMILESCc1ccc(S(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C22H15Cl3N2O2S/c1-13-6-7-21(17(23)8-13)30(28)27-15-10-18(24)22(19(25)11-15)29-16-9-14-4-2-3-5-20(14)26-12-16/h2-12,27H,1H3
InChIKeyHUMUPERQRHHDBF-UHFFFAOYSA-N
XLogP7.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.80
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2,6-dichloro-4-(sulfinoamino)phenoxy]quinoline
CID 164563480
3-chloro-N,5-dimethyl-4-quinolin-3-yloxyaniline
CID 155171674
3-chloro-5-methoxy-N-methyl-4-quinolin-3-yloxyaniline
CID 155171669
4-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-2-methylbenzenesulfonamide
CID 70250383
4,6-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-5-methylcyclohexa-1,3-diene-1-sulfonamide
CID 154982761
(2E,4E)-2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)hepta-2,4-diene-1-sulfonamide
CID 155171677
benzenesulfonic acid;bis(2,4-dichloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)benzenesulfonamide);hydrochloride
CID 157299144
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535
2,4-dichloro-N-[3,5-dichloro-4-(6-methylquinolin-3-yl)oxyphenoxy]-5-methylbenzenesulfonamide
CID 142691210
4-quinolin-3-yloxybenzenesulfinic acid
CID 57445519
1-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-N-methylmethanamine
CID 107387718
N-(5-chloro-6-quinolin-3-yloxy-3-pyridinyl)-2,5-dimethoxybenzenesulfonamide
CID 71462063

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide?
The IUPAC name of 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide (CID 143971627) is 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide?
The canonical SMILES for 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide is Cc1ccc(S(=O)Nc2cc(Cl)c(Oc3cnc4ccccc4c3)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide?
The InChIKey is HUMUPERQRHHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N2O2S/c1-13-6-7-21(17(23)8-13)30(28)27-15-10-18(24)22(19(25)11-15)29-16-9-14-4-2-3-5-20(14)26-12-16/h2-12,27H,1H3.
What are the key properties of 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide?
2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide has a molecular weight of 477.80 g/mol, XLogP of 7.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloro-4-quinolin-3-yloxyphenyl)-4-methylbenzenesulfinamide is sourced from PubChem (CID 143971627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).