2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline

C12H17ClN2O2S — CID 43095930

IUPAC2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCN(S(=O)(=O)c2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C12H17ClN2O2S/c1-9-3-2-6-15(8-9)18(16,17)10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8,14H2,1H3
InChIKeyDWAVQZRQOKVZAA-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.34
Rot. Bonds2

About 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline

2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline (PubChem CID 43095930) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
PubChem CID43095930
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
SMILESCC1CCCN(S(=O)(=O)c2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C12H17ClN2O2S/c1-9-3-2-6-15(8-9)18(16,17)10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8,14H2,1H3
InChIKeyDWAVQZRQOKVZAA-UHFFFAOYSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.34
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

2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
1-(4-chloro-3-nitrophenyl)sulfonyl-3-methylpiperidine
CID 2842403
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
4-(3-methylpiperidin-1-yl)sulfonyl-2-(trifluoromethyl)aniline
CID 170459184
2,3-dimethyl-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43109484
3,5-dichloro-4-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43257079
1-(3-amino-4-chlorophenyl)sulfonylpiperidin-4-ol
CID 29048073
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
2-(3-methylpiperidin-1-yl)sulfonyl-4-methylsulfonylaniline
CID 62149868
2-chloro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66391099

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline?
The IUPAC name of 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline (CID 43095930) is 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline is CC1CCCN(S(=O)(=O)c2ccc(Cl)c(N)c2)C1.
What is the InChIKey of 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline?
The InChIKey is DWAVQZRQOKVZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-9-3-2-6-15(8-9)18(16,17)10-4-5-11(13)12(14)7-10/h4-5,7,9H,2-3,6,8,14H2,1H3.
What are the key properties of 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline?
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline has a molecular weight of 288.80 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline is sourced from PubChem (CID 43095930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).