N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide

C17H25N3O3S — CID 146093151

IUPACN-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCN2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H25N3O3S/c1-13-8-9-14(17(21)20-11-5-4-10-18-20)12-16(13)24(22,23)19-15-6-2-3-7-15/h8-9,12,15,18-19H,2-7,10-11H2,1H3
InChIKeyOVCCDVSBMYSRTN-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.96
Rot. Bonds4

About N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide

N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide (PubChem CID 146093151) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
PubChem CID146093151
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCN2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C17H25N3O3S/c1-13-8-9-14(17(21)20-11-5-4-10-18-20)12-16(13)24(22,23)19-15-6-2-3-7-15/h8-9,12,15,18-19H,2-7,10-11H2,1H3
InChIKeyOVCCDVSBMYSRTN-UHFFFAOYSA-N
XLogP1.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119467939
N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
CID 146093149
N-cyclopentyl-2-methyl-5-(2-methylpropanoyl)benzenesulfonamide
CID 39446109
5-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide;hydrochloride
CID 119467938
5-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methylbenzenesulfonamide
CID 119632759
N-cyclopentyl-2-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 119544817
3-(cyclopentylsulfamoyl)-N,4-dimethyl-N-piperidin-4-ylbenzamide
CID 119442848
3-(cyclopentylsulfamoyl)-N-[2-(ethylamino)ethyl]-4-methylbenzamide
CID 119507022
2-[[3-(cyclopentylsulfamoyl)-4-methylbenzoyl]amino]acetic acid
CID 119350138
3-(cyclopentylsulfamoyl)-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120574596
2-[[3-(cyclohexylsulfamoyl)-4-methylbenzoyl]amino]benzoic acid
CID 1356115
4-methyl-3-[(3-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43317213

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide (CID 146093151) is N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide is Cc1ccc(C(=O)N2CCCCN2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide?
The InChIKey is OVCCDVSBMYSRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13-8-9-14(17(21)20-11-5-4-10-18-20)12-16(13)24(22,23)19-15-6-2-3-7-15/h8-9,12,15,18-19H,2-7,10-11H2,1H3.
What are the key properties of N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide?
N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide has a molecular weight of 351.47 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 146093151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).