4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide

C15H22ClN3O3S — CID 110611361

IUPAC4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-2-17-23(21,22)19-9-3-8-18(10-11-19)15(20)12-13-4-6-14(16)7-5-13/h4-7,17H,2-3,8-12H2,1H3
InChIKeyKAIXUGFAGAZWEX-UHFFFAOYSA-N
MW359.88 g/mol
LogP1.27
Rot. Bonds5

About 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide

4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide (PubChem CID 110611361) has the molecular formula C15H22ClN3O3S and a molecular weight of 359.88 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide
PubChem CID110611361
Molecular FormulaC15H22ClN3O3S
Molecular Weight359.88 g/mol
Exact Mass359.11
IUPAC Name4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide
SMILESCCNS(=O)(=O)N1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H22ClN3O3S/c1-2-17-23(21,22)19-9-3-8-18(10-11-19)15(20)12-13-4-6-14(16)7-5-13/h4-7,17H,2-3,8-12H2,1H3
InChIKeyKAIXUGFAGAZWEX-UHFFFAOYSA-N
XLogP1.27
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
2-(4-chlorophenyl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 27733634
4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547153
2-(3,4-dimethylphenyl)-1-(4-ethylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 110810141
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
2-(4-chlorophenyl)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 18273497
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
CID 110810778
N-(4-chlorophenyl)-4-ethylsulfonyl-1,4-diazepane-1-carboxamide
CID 47812768
(E)-1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-3-phenylbut-2-en-1-one
CID 110617854
2-(4-chlorophenyl)-1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 110359107

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide?
The IUPAC name of 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide (CID 110611361) is 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide is CCNS(=O)(=O)N1CCCN(C(=O)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide?
The InChIKey is KAIXUGFAGAZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S/c1-2-17-23(21,22)19-9-3-8-18(10-11-19)15(20)12-13-4-6-14(16)7-5-13/h4-7,17H,2-3,8-12H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide?
4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide has a molecular weight of 359.88 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)acetyl]-N-ethyl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 110611361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).