N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide

C19H23ClN4O3S — CID 14998858

IUPACN-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1
InChIInChI=1S/C19H23ClN4O3S/c1-28(26,27)23-16-7-5-14(6-8-16)19(25)22-12-17-13-24(10-9-21-17)18-4-2-3-15(20)11-18/h2-8,11,17,21,23H,9-10,12-13H2,1H3,(H,22,25)
InChIKeyYQIGZMOUSYESEY-UHFFFAOYSA-N
MW422.94 g/mol
LogP1.92
Rot. Bonds6

About N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide

N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide (PubChem CID 14998858) has the molecular formula C19H23ClN4O3S and a molecular weight of 422.94 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide
PubChem CID14998858
Molecular FormulaC19H23ClN4O3S
Molecular Weight422.94 g/mol
Exact Mass422.12
IUPAC NameN-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1
InChIInChI=1S/C19H23ClN4O3S/c1-28(26,27)23-16-7-5-14(6-8-16)19(25)22-12-17-13-24(10-9-21-17)18-4-2-3-15(20)11-18/h2-8,11,17,21,23H,9-10,12-13H2,1H3,(H,22,25)
InChIKeyYQIGZMOUSYESEY-UHFFFAOYSA-N
XLogP1.92
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.94
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(tert-Butyl)-N-[2-chloro-4-(methylsulfonamido)benzyl]benzamide
CID 137631891
4-chloro-N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
CID 2812624
4-Piperidinecarboxamide, N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorobenzoyl)amino]-1-piperidinyl]propyl]-1-(methylsulfonyl)-
CID 11578088
N-Allyl-4-(benzyl-methanesulfonyl-amino)-benzamide
CID 2260550
N-(2-chlorobenzyl)-N-[4-(pyrrolidin-1-ylcarbonyl)phenyl]methanesulfonamide
CID 3492355
N~1~-(4-chlorophenyl)-N~2~-{2-[4-(4-methylbenzoyl)-1-piperazinyl]ethyl}ethanediamide
CID 4020692
4-((Methylsulfonyl)amino)-N-((4-phenylpiperazin-2-yl)methyl)benzamide
CID 131847
2-chloro-N-[4-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 887708
N-[1-[4-(4-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24740167
N-[(1S,2R)-2-[(4-chlorobenzene)amido]cyclopentyl]-4-(2-oxo-1,2-dihydropyridin-1-yl)benzamide
CID 44432497
N-[(1S,2R)-2-[(4-chlorobenzene)amido]cyclohexyl]-4-(2-oxo-1,2-dihydropyridin-1-yl)benzamide
CID 44432522
N-(2-(3,4-Dichlorophenylamino)ethyl)-3-(4-(methylsulfonamido)phenyl)propanamide
CID 46227092

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide (CID 14998858) is N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)NCC2CN(c3cccc(Cl)c3)CCN2)cc1.
What is the InChIKey of N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide?
The InChIKey is YQIGZMOUSYESEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3S/c1-28(26,27)23-16-7-5-14(6-8-16)19(25)22-12-17-13-24(10-9-21-17)18-4-2-3-15(20)11-18/h2-8,11,17,21,23H,9-10,12-13H2,1H3,(H,22,25).
What are the key properties of N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide?
N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide has a molecular weight of 422.94 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)piperazin-2-yl]methyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 14998858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).