4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride

C15H24ClN3O3S — CID 119417843

IUPAC4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCNCC2)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-12(2)17-22(20,21)14-6-4-13(5-7-14)15(19)18-10-3-8-16-9-11-18;/h4-7,12,16-17H,3,8-11H2,1-2H3;1H
InChIKeyAWDDIQQNJNYOJF-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.23
Rot. Bonds4

About 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride

4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride (PubChem CID 119417843) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
PubChem CID119417843
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCNCC2)cc1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-12(2)17-22(20,21)14-6-4-13(5-7-14)15(19)18-10-3-8-16-9-11-18;/h4-7,12,16-17H,3,8-11H2,1-2H3;1H
InChIKeyAWDDIQQNJNYOJF-UHFFFAOYSA-N
XLogP1.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,4-diazepane-1-carbonyl)-N-phenylbenzenesulfonamide;hydrochloride
CID 119415914
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)benzenesulfonamide
CID 119414701
N-[4-(1,4-diazepane-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119414705
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609
4-(1,4-diazepane-1-carbonyl)-N-(2-fluorophenyl)benzenesulfonamide
CID 119418280
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119380916
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125
4-(3-aminopiperidine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 119380917
4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 66260464
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride (CID 119417843) is 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride is CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCCNCC2)cc1.Cl.
What is the InChIKey of 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride?
The InChIKey is AWDDIQQNJNYOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-12(2)17-22(20,21)14-6-4-13(5-7-14)15(19)18-10-3-8-16-9-11-18;/h4-7,12,16-17H,3,8-11H2,1-2H3;1H.
What are the key properties of 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride?
4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119417843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).