N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

C20H24ClN3O4S — CID 43922033

IUPACN-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)cc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-28-19-8-7-17(13-18(19)21)22-20(25)16-5-3-15(4-6-16)14-23-9-11-24(12-10-23)29(2,26)27/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyCSKYGKWELSHHHC-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.68
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide (PubChem CID 43922033) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
PubChem CID43922033
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)cc1Cl
InChIInChI=1S/C20H24ClN3O4S/c1-28-19-8-7-17(13-18(19)21)22-20(25)16-5-3-15(4-6-16)14-23-9-11-24(12-10-23)29(2,26)27/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyCSKYGKWELSHHHC-UHFFFAOYSA-N
XLogP2.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919467
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922194
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
CID 43919630
N-(4-bromophenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919548
N-(3-methylphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919041
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-(4-propan-2-yloxyphenyl)benzamide
CID 38097965
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
4-(2-chlorophenyl)-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
CID 141171867
N-(3,4-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1099911
N-[4-(aziridin-1-ylsulfonyl)phenyl]-3-chloro-4-methoxybenzamide
CID 155705982
4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzohydrazide
CID 63572108
methyl 4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzoate
CID 27128637

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide (CID 43922033) is N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide is COc1ccc(NC(=O)c2ccc(CN3CCN(S(C)(=O)=O)CC3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
The InChIKey is CSKYGKWELSHHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-28-19-8-7-17(13-18(19)21)22-20(25)16-5-3-15(4-6-16)14-23-9-11-24(12-10-23)29(2,26)27/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide?
N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide has a molecular weight of 437.95 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 43922033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).