3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

C19H21ClN2O3S — CID 984480

IUPAC3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCCC1
InChIInChI=1S/C19H21ClN2O3S/c20-17-5-4-6-18(13-17)26(24,25)21-14-15-7-9-16(10-8-15)19(23)22-11-2-1-3-12-22/h4-10,13,21H,1-3,11-12,14H2
InChIKeyPSQUELAMSHLVKP-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.44
Rot. Bonds5

About 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide

3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (PubChem CID 984480) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
PubChem CID984480
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
SMILESO=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCCC1
InChIInChI=1S/C19H21ClN2O3S/c20-17-5-4-6-18(13-17)26(24,25)21-14-15-7-9-16(10-8-15)19(23)22-11-2-1-3-12-22/h4-10,13,21H,1-3,11-12,14H2
InChIKeyPSQUELAMSHLVKP-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide (CID 984480) is 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is O=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCCC1.
What is the InChIKey of 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is PSQUELAMSHLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-17-5-4-6-18(13-17)26(24,25)21-14-15-7-9-16(10-8-15)19(23)22-11-2-1-3-12-22/h4-10,13,21H,1-3,11-12,14H2.
What are the key properties of 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide?
3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 392.91 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 984480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).