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

C19H23N3O3S — CID 146093149

IUPACN-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCN2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-15-9-10-17(19(23)22-12-6-5-11-20-22)13-18(15)26(24,25)21-14-16-7-3-2-4-8-16/h2-4,7-10,13,20-21H,5-6,11-12,14H2,1H3
InChIKeyZHERQLSQAVXODC-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.21
Rot. Bonds5

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

N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide (PubChem CID 146093149) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
PubChem CID146093149
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(C(=O)N2CCCCN2)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C19H23N3O3S/c1-15-9-10-17(19(23)22-12-6-5-11-20-22)13-18(15)26(24,25)21-14-16-7-3-2-4-8-16/h2-4,7-10,13,20-21H,5-6,11-12,14H2,1H3
InChIKeyZHERQLSQAVXODC-UHFFFAOYSA-N
XLogP2.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide
CID 146093151
5-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-N-benzyl-2-methylbenzenesulfonamide
CID 8732788
N-benzyl-2-methyl-5-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 24660910
5-(azepane-1-carbonyl)-N-benzyl-2-chlorobenzenesulfonamide
CID 9314912
3-(benzylsulfamoyl)-N-[2-(cyclohexanecarbonylamino)ethyl]-4-methylbenzamide
CID 55854533
tert-butyl N-[1-[3-(benzylsulfamoyl)-4-methylbenzoyl]piperidin-4-yl]carbamate
CID 55736695
3-(benzylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 41041399
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
3-(benzylsulfamoyl)-4-methyl-N-(2-propan-2-ylphenyl)benzamide
CID 60593033
[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-(benzylsulfamoyl)-4-methylbenzoate
CID 55540555
3-(benzylsulfamoyl)-N,N-bis(cyanomethyl)-4-methylbenzamide
CID 60613005
3-(benzylsulfamoyl)-N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 35623422

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide (CID 146093149) is N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide is Cc1ccc(C(=O)N2CCCCN2)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide?
The InChIKey is ZHERQLSQAVXODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-9-10-17(19(23)22-12-6-5-11-20-22)13-18(15)26(24,25)21-14-16-7-3-2-4-8-16/h2-4,7-10,13,20-21H,5-6,11-12,14H2,1H3.
What are the key properties of N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide?
N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(diazinane-1-carbonyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 146093149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).