2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide

C18H27ClN4O3S — CID 56699203

IUPAC2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)CC1
InChIInChI=1S/C18H27ClN4O3S/c1-21-7-5-14(6-8-21)20-18(24)16-13-15(3-4-17(16)19)27(25,26)23-11-9-22(2)10-12-23/h3-4,13-14H,5-12H2,1-2H3,(H,20,24)
InChIKeySXLGUQHTDDRIKL-UHFFFAOYSA-N
MW414.96 g/mol
LogP1.10
Rot. Bonds4

About 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide

2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 56699203) has the molecular formula C18H27ClN4O3S and a molecular weight of 414.96 g/mol. Its IUPAC name is 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID56699203
Molecular FormulaC18H27ClN4O3S
Molecular Weight414.96 g/mol
Exact Mass414.15
IUPAC Name2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)CC1
InChIInChI=1S/C18H27ClN4O3S/c1-21-7-5-14(6-8-21)20-18(24)16-13-15(3-4-17(16)19)27(25,26)23-11-9-22(2)10-12-23/h3-4,13-14H,5-12H2,1-2H3,(H,20,24)
InChIKeySXLGUQHTDDRIKL-UHFFFAOYSA-N
XLogP1.10
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.96
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(1-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 50946940
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
2-chloro-N-(4-hydroxycyclohexyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 78767649
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012946
2-chloro-N-(3-ethoxypropyl)-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969395
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(4-propan-2-ylphenyl)benzamide
CID 99969341
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
2-chloro-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969458
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide (CID 56699203) is 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is SXLGUQHTDDRIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O3S/c1-21-7-5-14(6-8-21)20-18(24)16-13-15(3-4-17(16)19)27(25,26)23-11-9-22(2)10-12-23/h3-4,13-14H,5-12H2,1-2H3,(H,20,24).
What are the key properties of 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide?
2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 414.96 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 56699203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).