N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide

C19H30N3O3S+ — CID 7376460

IUPACN-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H29N3O3S/c1-15-8-9-17(26(24,25)22-12-10-21(2)11-13-22)14-18(15)19(23)20-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,20,23)/p+1
InChIKeyIHRRYJGZUDEXAX-UHFFFAOYSA-O
MW380.53 g/mol
LogP0.58
Rot. Bonds4

About N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide

N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide (PubChem CID 7376460) has the molecular formula C19H30N3O3S+ and a molecular weight of 380.53 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
PubChem CID7376460
Molecular FormulaC19H30N3O3S+
Molecular Weight380.53 g/mol
Exact Mass380.20
IUPAC NameN-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C19H29N3O3S/c1-15-8-9-17(26(24,25)22-12-10-21(2)11-13-22)14-18(15)19(23)20-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,20,23)/p+1
InChIKeyIHRRYJGZUDEXAX-UHFFFAOYSA-O
XLogP0.58
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-methyl-N-(4-methylpiperazin-4-ium-1-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 2336259
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
2-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 32542953
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
5-(azepan-1-ylsulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)-2-methylbenzamide
CID 53281767
2-methyl-N-[(1S,2S)-2-methylcyclohexyl]-5-morpholin-4-ylsulfonylbenzamide
CID 2715702

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide (CID 7376460) is N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide?
The InChIKey is IHRRYJGZUDEXAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H29N3O3S/c1-15-8-9-17(26(24,25)22-12-10-21(2)11-13-22)14-18(15)19(23)20-16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,20,23)/p+1.
What are the key properties of N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide?
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide has a molecular weight of 380.53 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide is sourced from PubChem (CID 7376460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).