cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium

C18H28N3O3S+ — CID 7216647

IUPACcycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C1CCCCCC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O3S/c22-18(13-19-14-5-3-1-2-4-6-14)20-15-9-11-17(12-10-15)25(23,24)21-16-7-8-16/h9-12,14,16,19,21H,1-8,13H2,(H,20,22)/p+1
InChIKeyZLXILZWLHQUTEY-UHFFFAOYSA-O
MW366.51 g/mol
LogP1.35
Rot. Bonds7

About cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium

cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium (PubChem CID 7216647) has the molecular formula C18H28N3O3S+ and a molecular weight of 366.51 g/mol. Its IUPAC name is cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium
PubChem CID7216647
Molecular FormulaC18H28N3O3S+
Molecular Weight366.51 g/mol
Exact Mass366.18
IUPAC Namecycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium
SMILESO=C(C[NH2+]C1CCCCCC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1
InChIInChI=1S/C18H27N3O3S/c22-18(13-19-14-5-3-1-2-4-6-14)20-15-9-11-17(12-10-15)25(23,24)21-16-7-8-16/h9-12,14,16,19,21H,1-8,13H2,(H,20,22)/p+1
InChIKeyZLXILZWLHQUTEY-UHFFFAOYSA-O
XLogP1.35
TPSA91.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-[[(2R)-butan-2-yl]sulfamoyl]anilino]-2-oxoethyl]-cycloheptylazanium
CID 7406873
N,N'-bis[4-(cyclohexylsulfamoyl)phenyl]nonanediamide
CID 4629962
2-chloro-N-[4-(cyclopropylsulfamoyl)phenyl]acetamide
CID 43244647
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
cyclopentyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 6971323
N-[4-(cyclopropylsulfamoyl)phenyl]-4-hydroxybutanamide
CID 79191548
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
3-(benzenesulfonamido)-N-[4-(cyclohexylsulfamoyl)phenyl]propanamide
CID 17225977
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109452
methyl N-[4-(cyclohexylsulfamoyl)phenyl]carbamate
CID 6465161
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium?
The IUPAC name of cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium (CID 7216647) is cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium.
What is the SMILES notation for cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium?
The canonical SMILES for cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium is O=C(C[NH2+]C1CCCCCC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1.
What is the InChIKey of cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium?
The InChIKey is ZLXILZWLHQUTEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O3S/c22-18(13-19-14-5-3-1-2-4-6-14)20-15-9-11-17(12-10-15)25(23,24)21-16-7-8-16/h9-12,14,16,19,21H,1-8,13H2,(H,20,22)/p+1.
What are the key properties of cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium?
cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium has a molecular weight of 366.51 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[2-[4-(cyclopropylsulfamoyl)anilino]-2-oxoethyl]azanium is sourced from PubChem (CID 7216647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).