4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C14H21ClN2O2S — CID 22772557

IUPAC4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCN(C)CC2)c(C)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-10-9-14(11(2)8-13(10)15)20(18,19)16-12-4-6-17(3)7-5-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeyDWZJPFSRIPFNOG-UHFFFAOYSA-N
MW316.85 g/mol
LogP2.33
Rot. Bonds3

About 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 22772557) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID22772557
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC Name4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCN(C)CC2)c(C)cc1Cl
InChIInChI=1S/C14H21ClN2O2S/c1-10-9-14(11(2)8-13(10)15)20(18,19)16-12-4-6-17(3)7-5-12/h8-9,12,16H,4-7H2,1-3H3
InChIKeyDWZJPFSRIPFNOG-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373446
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 110736336
5-(aminomethyl)-2-chloro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025172
5-(aminomethyl)-2,3-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025455
N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
4-chloro-N-(4-hydroxyoxolan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 156608191
4-hydrazinyl-2,6-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 107327849
5-bromo-4-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 79932001
3-amino-4-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43373442
4-chloro-N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 3835225
4-chloro-2,5-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682540
4-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylbenzenesulfonamide
CID 21091819

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 22772557) is 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCN(C)CC2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is DWZJPFSRIPFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2S/c1-10-9-14(11(2)8-13(10)15)20(18,19)16-12-4-6-17(3)7-5-12/h8-9,12,16H,4-7H2,1-3H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 316.85 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 22772557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).