3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline

C23H17Cl2NO3S2 — CID 163714749

IUPAC3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline
SMILESO=S(c1ccc2ccccc2c1)c1ccc(NCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C23H17Cl2NO3S2/c24-18-6-10-21(11-7-18)31(28,29)15-26-19-8-12-23(22(25)14-19)30(27)20-9-5-16-3-1-2-4-17(16)13-20/h1-14,26H,15H2
InChIKeyKMJJDZFACFRRPF-UHFFFAOYSA-N
MW490.43 g/mol
LogP6.16
Rot. Bonds6

About 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline

3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline (PubChem CID 163714749) has the molecular formula C23H17Cl2NO3S2 and a molecular weight of 490.43 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline
PubChem CID163714749
Molecular FormulaC23H17Cl2NO3S2
Molecular Weight490.43 g/mol
Exact Mass489.00
IUPAC Name3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline
SMILESO=S(c1ccc2ccccc2c1)c1ccc(NCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C23H17Cl2NO3S2/c24-18-6-10-21(11-7-18)31(28,29)15-26-19-8-12-23(22(25)14-19)30(27)20-9-5-16-3-1-2-4-17(16)13-20/h1-14,26H,15H2
InChIKeyKMJJDZFACFRRPF-UHFFFAOYSA-N
XLogP6.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline 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

N-(3-chloro-4-naphthalen-2-ylsulfinylphenyl)-6-methylpyridine-3-sulfonamide
CID 143108287
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
2-(4-chlorophenyl)sulfonylnaphthalene
CID 2506576
N-[(4-chlorophenyl)methyl]naphthalen-2-amine
CID 13418586
1,2,4-trichloro-5-[(R)-(4-chlorophenyl)sulfinyl]benzene
CID 121492311
4-chloro-N-(2-naphthalen-2-ylsulfanylethyl)aniline
CID 63515810
sodium (4-chloroanilino)methanesulfonate
CID 23681854
N-(3,5-dichloro-4-hydroxyphenyl)naphthalene-2-sulfonamide
CID 1137620
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]naphthalene-2-sulfonamide
CID 3886966
4-chloro-N-[(Z)-naphthalen-2-ylmethylideneamino]benzenesulfonamide
CID 5414863
4-chloro-N-[3-(naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1050498
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline (CID 163714749) is 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline is O=S(c1ccc2ccccc2c1)c1ccc(NCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline?
The InChIKey is KMJJDZFACFRRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2NO3S2/c24-18-6-10-21(11-7-18)31(28,29)15-26-19-8-12-23(22(25)14-19)30(27)20-9-5-16-3-1-2-4-17(16)13-20/h1-14,26H,15H2.
What are the key properties of 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline?
3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline has a molecular weight of 490.43 g/mol, XLogP of 6.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)sulfonylmethyl]-4-naphthalen-2-ylsulfinylaniline is sourced from PubChem (CID 163714749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).