2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide

C14H19ClN2O3S — CID 9451751

IUPAC2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C14H19ClN2O3S/c1-16(2)21(19,20)13-10-11(6-7-12(13)15)14(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyQFHYARJUUBSCJG-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.22
Rot. Bonds3

About 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide

2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 9451751) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID9451751
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C14H19ClN2O3S/c1-16(2)21(19,20)13-10-11(6-7-12(13)15)14(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyQFHYARJUUBSCJG-UHFFFAOYSA-N
XLogP2.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide (CID 9451751) is 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide is CN(C)S(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is QFHYARJUUBSCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-16(2)21(19,20)13-10-11(6-7-12(13)15)14(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide?
2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 330.84 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 9451751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).