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

C19H25N3O2S — CID 67945844

IUPACN-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide
SMILESCN1CCCN(Cc2ccccc2)C(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H25N3O2S/c1-21-13-8-14-22(15-17-9-4-2-5-10-17)19(16-21)20-25(23,24)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3
InChIKeyZLHIMHAVTQAZHO-UHFFFAOYSA-N
MW359.49 g/mol
LogP2.13
Rot. Bonds5

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

N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide (PubChem CID 67945844) has the molecular formula C19H25N3O2S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide
PubChem CID67945844
Molecular FormulaC19H25N3O2S
Molecular Weight359.49 g/mol
Exact Mass359.17
IUPAC NameN-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide
SMILESCN1CCCN(Cc2ccccc2)C(NS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H25N3O2S/c1-21-13-8-14-22(15-17-9-4-2-5-10-17)19(16-21)20-25(23,24)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3
InChIKeyZLHIMHAVTQAZHO-UHFFFAOYSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylazetidin-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 102013429
N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide
CID 68604895
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-(1-benzyl-2,4-dimethyl-1,4-diazepan-2-yl)benzenesulfonamide
CID 19809352
(2S)-N-(benzenesulfonyl)-1-benzylpyrrolidine-2-carboxamide
CID 97249158
1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride
CID 172758906
N-(1-benzylazetidin-3-yl)-4-methylbenzenesulfonamide
CID 11324550
(9-benzyl-1,5-dimethyl-1,5,9-triazacyclododec-3-yl)methanol
CID 142177909
3-(chloromethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 114279731
1-benzyl-2,4-dimethylpiperazine;ethane
CID 145145723
N-(1-benzylpyrrolidin-3-yl)-4-iodobenzenesulfonamide;hydrochloride
CID 53421091
N-(1-methyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110736572

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide?
The IUPAC name of N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide (CID 67945844) is N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide is CN1CCCN(Cc2ccccc2)C(NS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide?
The InChIKey is ZLHIMHAVTQAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-21-13-8-14-22(15-17-9-4-2-5-10-17)19(16-21)20-25(23,24)18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3.
What are the key properties of N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide?
N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide has a molecular weight of 359.49 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methyl-1,4-diazepan-2-yl)benzenesulfonamide is sourced from PubChem (CID 67945844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).