2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide

C14H19ClN2O3S — CID 65387685

IUPAC2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C(C)C1
InChIInChI=1S/C14H19ClN2O3S/c1-9-5-6-17(10(2)7-9)14(18)11-3-4-12(15)13(8-11)21(16,19)20/h3-4,8-10H,5-7H2,1-2H3,(H2,16,19,20)
InChIKeyFAVOZMILNALKNX-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.25
Rot. Bonds2

About 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide

2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide (PubChem CID 65387685) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
PubChem CID65387685
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide
SMILESCC1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C(C)C1
InChIInChI=1S/C14H19ClN2O3S/c1-9-5-6-17(10(2)7-9)14(18)11-3-4-12(15)13(8-11)21(16,19)20/h3-4,8-10H,5-7H2,1-2H3,(H2,16,19,20)
InChIKeyFAVOZMILNALKNX-UHFFFAOYSA-N
XLogP2.25
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659
4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 62331984
(2,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 62330190
(6-amino-3-chloro-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62329720
(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 26773669
(5-amino-2,3-dichlorophenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 107185001
(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330677
(4-chloro-3-methylsulfonylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877222
(2,4-dimethylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 55236063
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 2615168
1-(3-chloro-4-iodobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742259
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 7719605

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide (CID 65387685) is 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide is CC1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)C(C)C1.
What is the InChIKey of 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is FAVOZMILNALKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-9-5-6-17(10(2)7-9)14(18)11-3-4-12(15)13(8-11)21(16,19)20/h3-4,8-10H,5-7H2,1-2H3,(H2,16,19,20).
What are the key properties of 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide?
2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 65387685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).