N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide

C14H19ClN2O4S — CID 49458559

IUPACN-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(C)=O)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-10(18)16-11-5-7-17(8-6-11)22(19,20)12-3-4-14(21-2)13(15)9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)
InChIKeyYNORJHUIRXRTRC-UHFFFAOYSA-N
MW346.84 g/mol
LogP1.64
Rot. Bonds4

About N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide

N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide (PubChem CID 49458559) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
PubChem CID49458559
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(C)=O)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O4S/c1-10(18)16-11-5-7-17(8-6-11)22(19,20)12-3-4-14(21-2)13(15)9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,18)
InChIKeyYNORJHUIRXRTRC-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-methylboronamidic acid
CID 123158328
1-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 1093373
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(3,5-dimethylphenyl)piperidine-4-carboxamide
CID 126363125
1-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-one
CID 110665618
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
3-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-methylbutanamide
CID 120501272
4-amino-N-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]butanamide;hydrochloride
CID 119330409
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
[4-(3-chloro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797098

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide?
The IUPAC name of N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide (CID 49458559) is N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide is COc1ccc(S(=O)(=O)N2CCC(NC(C)=O)CC2)cc1Cl.
What is the InChIKey of N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide?
The InChIKey is YNORJHUIRXRTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-10(18)16-11-5-7-17(8-6-11)22(19,20)12-3-4-14(21-2)13(15)9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide?
N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide has a molecular weight of 346.84 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide is sourced from PubChem (CID 49458559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).