N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide

C19H30ClN3O2S — CID 42947101

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H30ClN3O2S/c1-15-11-16(2)13-23(12-15)26(24,25)21-19-7-9-22(10-8-19)14-17-3-5-18(20)6-4-17/h3-6,15-16,19,21H,7-14H2,1-2H3
InChIKeyGJUMTRMJIYQODU-UHFFFAOYSA-N
MW399.99 g/mol
LogP3.12
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 42947101) has the molecular formula C19H30ClN3O2S and a molecular weight of 399.99 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID42947101
Molecular FormulaC19H30ClN3O2S
Molecular Weight399.99 g/mol
Exact Mass399.17
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1
InChIInChI=1S/C19H30ClN3O2S/c1-15-11-16(2)13-23(12-15)26(24,25)21-19-7-9-22(10-8-19)14-17-3-5-18(20)6-4-17/h3-6,15-16,19,21H,7-14H2,1-2H3
InChIKeyGJUMTRMJIYQODU-UHFFFAOYSA-N
XLogP3.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide (CID 42947101) is N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)C1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is GJUMTRMJIYQODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O2S/c1-15-11-16(2)13-23(12-15)26(24,25)21-19-7-9-22(10-8-19)14-17-3-5-18(20)6-4-17/h3-6,15-16,19,21H,7-14H2,1-2H3.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 399.99 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 42947101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).