N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide

C20H27N3O2S — CID 19809352

IUPACN-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide
SMILESCN1CCCN(Cc2ccccc2)C(C)(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H27N3O2S/c1-20(21-26(24,25)19-12-7-4-8-13-19)17-22(2)14-9-15-23(20)16-18-10-5-3-6-11-18/h3-8,10-13,21H,9,14-17H2,1-2H3
InChIKeyPFSNGPZESZGLJW-UHFFFAOYSA-N
MW373.52 g/mol
LogP2.52
Rot. Bonds5

About N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide

N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide (PubChem CID 19809352) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide
PubChem CID19809352
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide
SMILESCN1CCCN(Cc2ccccc2)C(C)(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H27N3O2S/c1-20(21-26(24,25)19-12-7-4-8-13-19)17-22(2)14-9-15-23(20)16-18-10-5-3-6-11-18/h3-8,10-13,21H,9,14-17H2,1-2H3
InChIKeyPFSNGPZESZGLJW-UHFFFAOYSA-N
XLogP2.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide
CID 67945844
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822875
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
N-benzyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 71050440
(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
CID 97249158
4-[(2,2,4-trimethylpiperazin-1-yl)methyl]benzoic acid
CID 122029124
1-benzyl-2,2-dimethylpiperidin-4-one
CID 4070912
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
methyl 1-benzyl-2-methylaziridine-2-carboxylate
CID 15098328

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide (CID 19809352) is N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide is CN1CCCN(Cc2ccccc2)C(C)(NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide?
The InChIKey is PFSNGPZESZGLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-20(21-26(24,25)19-12-7-4-8-13-19)17-22(2)14-9-15-23(20)16-18-10-5-3-6-11-18/h3-8,10-13,21H,9,14-17H2,1-2H3.
What are the key properties of N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide?
N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide is sourced from PubChem (CID 19809352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).