3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline

C11H15Cl2N3O2S — CID 43255653

IUPAC3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCN1CCN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3O2S/c1-15-2-4-16(5-3-15)19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7H,2-5,14H2,1H3
InChIKeyIYAMMNLETGNCGM-UHFFFAOYSA-N
MW324.23 g/mol
LogP1.51
Rot. Bonds2

About 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline

3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline (PubChem CID 43255653) has the molecular formula C11H15Cl2N3O2S and a molecular weight of 324.23 g/mol. Its IUPAC name is 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
PubChem CID43255653
Molecular FormulaC11H15Cl2N3O2S
Molecular Weight324.23 g/mol
Exact Mass323.03
IUPAC Name3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
SMILESCN1CCN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C11H15Cl2N3O2S/c1-15-2-4-16(5-3-15)19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7H,2-5,14H2,1H3
InChIKeyIYAMMNLETGNCGM-UHFFFAOYSA-N
XLogP1.51
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4,6-dichlorophenyl)sulfonyl-3-methylazetidin-3-ol
CID 107212769
1-(2-amino-4,6-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 62918182
2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43255890
1-(2-amino-4,6-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 43256211
4-chloro-2-(4-methylpiperazin-1-yl)sulfonylaniline
CID 54888361
2-bromo-5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 62957756
1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 61140373
2-amino-4,6-dichloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62636292
2,5-dichloro-3-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 43514463
(3R)-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-amine
CID 115301799
5-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]pyridin-2-amine
CID 75441729
4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 28542859

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline?
The IUPAC name of 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline (CID 43255653) is 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline.
What is the SMILES notation for 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline?
The canonical SMILES for 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline is CN1CCN(S(=O)(=O)c2c(N)cc(Cl)cc2Cl)CC1.
What is the InChIKey of 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline?
The InChIKey is IYAMMNLETGNCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2S/c1-15-2-4-16(5-3-15)19(17,18)11-9(13)6-8(12)7-10(11)14/h6-7H,2-5,14H2,1H3.
What are the key properties of 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline?
3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline has a molecular weight of 324.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(4-methylpiperazin-1-yl)sulfonylaniline is sourced from PubChem (CID 43255653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).