4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride

C14H18ClNO3S — CID 62331984

IUPAC4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)Cl)cc2)C(C)C1
InChIInChI=1S/C14H18ClNO3S/c1-10-7-8-16(11(2)9-10)14(17)12-3-5-13(6-4-12)20(15,18)19/h3-6,10-11H,7-9H2,1-2H3
InChIKeyVMOHOUNQKWTNTM-UHFFFAOYSA-N
MW315.82 g/mol
LogP2.87
Rot. Bonds2

About 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride

4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 62331984) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID62331984
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCN(C(=O)c2ccc(S(=O)(=O)Cl)cc2)C(C)C1
InChIInChI=1S/C14H18ClNO3S/c1-10-7-8-16(11(2)9-10)14(17)12-3-5-13(6-4-12)20(15,18)19/h3-6,10-11H,7-9H2,1-2H3
InChIKeyVMOHOUNQKWTNTM-UHFFFAOYSA-N
XLogP2.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
CID 65387685
(2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 62330190
(2,4-dimethylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 55236063
(2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 86796972
(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330677
[(2S,4R)-2,4-dimethylpiperidin-1-yl]-[4-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)phenyl]methanone
CID 99618792
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
3-(2,4-dimethylpiperidine-1-carbonyl)-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 65395863
(3,4-dichloro-5-nitrophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62331028
(6-amino-3-chloro-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62329720
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 62331984) is 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride is CC1CCN(C(=O)c2ccc(S(=O)(=O)Cl)cc2)C(C)C1.
What is the InChIKey of 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is VMOHOUNQKWTNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-10-7-8-16(11(2)9-10)14(17)12-3-5-13(6-4-12)20(15,18)19/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride?
4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 315.82 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 62331984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).