[4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine

C20H18ClNO5S2 — CID 142805303

IUPAC[4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine
SMILESCOc1ccc(S(=O)(=O)c2ccc(CN)cc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClNO5S2/c1-27-16-6-11-19(28(23,24)17-7-2-14(13-22)3-8-17)20(12-16)29(25,26)18-9-4-15(21)5-10-18/h2-12H,13,22H2,1H3
InChIKeyNETXCXIVPGGQIP-UHFFFAOYSA-N
MW451.95 g/mol
LogP3.47
Rot. Bonds6

About [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine

[4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine (PubChem CID 142805303) has the molecular formula C20H18ClNO5S2 and a molecular weight of 451.95 g/mol. Its IUPAC name is [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine
PubChem CID142805303
Molecular FormulaC20H18ClNO5S2
Molecular Weight451.95 g/mol
Exact Mass451.03
IUPAC Name[4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine
SMILESCOc1ccc(S(=O)(=O)c2ccc(CN)cc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H18ClNO5S2/c1-27-16-6-11-19(28(23,24)17-7-2-14(13-22)3-8-17)20(12-16)29(25,26)18-9-4-15(21)5-10-18/h2-12H,13,22H2,1H3
InChIKeyNETXCXIVPGGQIP-UHFFFAOYSA-N
XLogP3.47
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
[4-[(4-methoxyphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697987
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
4-[(4-chlorophenyl)methylsulfanyl]-3-(4-chlorophenyl)sulfonyl-6-methoxyquinoline
CID 22425090
[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
CID 64640596
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
(2S)-2-(4-chlorophenyl)sulfonyl-2-(3-methoxyphenyl)ethanamine
CID 9167401
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
3-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-2-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 143053878
N-[1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]propanamide
CID 21035273
N-[(4-chlorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 19872494
N-benzyl-3-(4-chlorophenyl)sulfonyl-6-methoxyquinolin-4-amine
CID 18560452

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine?
The IUPAC name of [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine (CID 142805303) is [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine.
What is the SMILES notation for [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine?
The canonical SMILES for [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine is COc1ccc(S(=O)(=O)c2ccc(CN)cc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine?
The InChIKey is NETXCXIVPGGQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO5S2/c1-27-16-6-11-19(28(23,24)17-7-2-14(13-22)3-8-17)20(12-16)29(25,26)18-9-4-15(21)5-10-18/h2-12H,13,22H2,1H3.
What are the key properties of [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine?
[4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine has a molecular weight of 451.95 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenyl)sulfonyl-4-methoxyphenyl]sulfonylphenyl]methanamine is sourced from PubChem (CID 142805303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).