3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline

C12H16Cl2N2O2S — CID 43257079

IUPAC3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-3-2-4-16(7-8)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,2-4,7,15H2,1H3
InChIKeyQBGHOECHFKDWNU-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.00
Rot. Bonds2

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

3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 43257079) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
PubChem CID43257079
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C12H16Cl2N2O2S/c1-8-3-2-4-16(7-8)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,2-4,7,15H2,1H3
InChIKeyQBGHOECHFKDWNU-UHFFFAOYSA-N
XLogP3.00
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-[3-(methoxymethyl)piperidin-1-yl]sulfonylaniline
CID 106585755
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)-3,5-dichloroaniline
CID 61105694
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
3,5-dichloro-4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
CID 43257069
3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103504991
3,5-dichloro-4-(3,4,5-trimethylpiperazin-1-yl)sulfonylaniline
CID 114542749
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
6-fluoro-2,4-dimethyl-3-(3-methylpiperidin-1-yl)sulfonylaniline
CID 107325512
[3,5-dimethyl-4-(3-methylpiperidin-1-yl)sulfonylphenyl]hydrazine
CID 107327782
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
1-(4-methoxy-2,6-dimethylphenyl)sulfonyl-3-methylpiperidine
CID 47173276

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline (CID 43257079) is 3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline is CC1CCCN(S(=O)(=O)c2c(Cl)cc(N)cc2Cl)C1.
What is the InChIKey of 3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is QBGHOECHFKDWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-8-3-2-4-16(7-8)19(17,18)12-10(13)5-9(15)6-11(12)14/h5-6,8H,2-4,7,15H2,1H3.
What are the key properties of 3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline?
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 323.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 43257079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).