N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide

C18H29ClN2O3S — CID 131942596

IUPACN-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
SMILESCCCCN(Cc1cccc(Cl)c1)S(=O)(=O)N1CCC(COC)CC1
InChIInChI=1S/C18H29ClN2O3S/c1-3-4-10-21(14-17-6-5-7-18(19)13-17)25(22,23)20-11-8-16(9-12-20)15-24-2/h5-7,13,16H,3-4,8-12,14-15H2,1-2H3
InChIKeyCGFBGLCCRRXTCQ-UHFFFAOYSA-N
MW388.96 g/mol
LogP3.55
Rot. Bonds9

About N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide

N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide (PubChem CID 131942596) has the molecular formula C18H29ClN2O3S and a molecular weight of 388.96 g/mol. Its IUPAC name is N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
PubChem CID131942596
Molecular FormulaC18H29ClN2O3S
Molecular Weight388.96 g/mol
Exact Mass388.16
IUPAC NameN-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
SMILESCCCCN(Cc1cccc(Cl)c1)S(=O)(=O)N1CCC(COC)CC1
InChIInChI=1S/C18H29ClN2O3S/c1-3-4-10-21(14-17-6-5-7-18(19)13-17)25(22,23)20-11-8-16(9-12-20)15-24-2/h5-7,13,16H,3-4,8-12,14-15H2,1-2H3
InChIKeyCGFBGLCCRRXTCQ-UHFFFAOYSA-N
XLogP3.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.96
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-chlorophenoxy)propyl]-4-(methoxymethyl)-N-methylpiperidine-1-sulfonamide
CID 131890746
1-butylsulfonyl-N-[(3-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 55767227
N-[(3-chlorophenyl)methyl]-2-[2-methoxyethyl(propylsulfonyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46108949
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
N'-[(3-chlorophenyl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide
CID 111736881
N-[(3-chlorophenyl)methyl]-2-[2-methoxyethyl(propylsulfonyl)amino]-N-(1-octanoylpiperidin-4-yl)acetamide
CID 46108795
N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 90144753
1-(3-chlorophenyl)-N-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]propan-2-amine
CID 18352733
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
3-[[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzoic acid
CID 64570843
1-(4-bromo-2,6-dichlorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63980191
N-(2-aminoethyl)-N-benzyl-4-methylpiperidine-1-sulfonamide
CID 61013841

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide (CID 131942596) is N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide is CCCCN(Cc1cccc(Cl)c1)S(=O)(=O)N1CCC(COC)CC1.
What is the InChIKey of N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The InChIKey is CGFBGLCCRRXTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29ClN2O3S/c1-3-4-10-21(14-17-6-5-7-18(19)13-17)25(22,23)20-11-8-16(9-12-20)15-24-2/h5-7,13,16H,3-4,8-12,14-15H2,1-2H3.
What are the key properties of N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide has a molecular weight of 388.96 g/mol, XLogP of 3.55, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 131942596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).