N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide

C15H21ClN2O3S — CID 53278229

IUPACN-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide
SMILESCC1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-11-6-8-18(9-7-11)15(19)13-5-4-12(10-14(13)16)17(2)22(3,20)21/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVHYZKTSBWIQYDH-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.61
Rot. Bonds3

About N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide

N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide (PubChem CID 53278229) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide
PubChem CID53278229
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide
SMILESCC1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C15H21ClN2O3S/c1-11-6-8-18(9-7-11)15(19)13-5-4-12(10-14(13)16)17(2)22(3,20)21/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVHYZKTSBWIQYDH-UHFFFAOYSA-N
XLogP2.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide 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

(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-N-methylbenzenesulfonamide
CID 132662900
2-chloro-4-[methyl(methylsulfonyl)amino]-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 53278155
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 46772956
N-benzyl-4-chloro-N-methyl-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 24540046
(4-chloro-3-methylsulfonylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 26773669
4-chloro-3-(4-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397242
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 30148619
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
(5-chloro-2-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 18108514
(2-chloro-4-nitrophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62642294
2-chloro-4-[methyl(methylsulfonyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 50945225

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide (CID 53278229) is N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide is CC1CCN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)CC1.
What is the InChIKey of N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide?
The InChIKey is VHYZKTSBWIQYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-11-6-8-18(9-7-11)15(19)13-5-4-12(10-14(13)16)17(2)22(3,20)21/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide?
N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 53278229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).