4-chloro-2-cycloheptylsulfinylaniline

C13H18ClNOS — CID 82935541

IUPAC4-chloro-2-cycloheptylsulfinylaniline
SMILESNc1ccc(Cl)cc1S(=O)C1CCCCCC1
InChIInChI=1S/C13H18ClNOS/c14-10-7-8-12(15)13(9-10)17(16)11-5-3-1-2-4-6-11/h7-9,11H,1-6,15H2
InChIKeyQNJCRJZJADYGSS-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.75
Rot. Bonds2

About 4-chloro-2-cycloheptylsulfinylaniline

4-chloro-2-cycloheptylsulfinylaniline (PubChem CID 82935541) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 4-chloro-2-cycloheptylsulfinylaniline.

Molecular Properties

Compound Name4-chloro-2-cycloheptylsulfinylaniline
PubChem CID82935541
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name4-chloro-2-cycloheptylsulfinylaniline
SMILESNc1ccc(Cl)cc1S(=O)C1CCCCCC1
InChIInChI=1S/C13H18ClNOS/c14-10-7-8-12(15)13(9-10)17(16)11-5-3-1-2-4-6-11/h7-9,11H,1-6,15H2
InChIKeyQNJCRJZJADYGSS-UHFFFAOYSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-2-cycloheptylsulfinylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cycloheptylsulfinyl-5-methylaniline
CID 82935928
5-chloro-2-(cyclopentylsulfinylmethyl)aniline
CID 63115581
2-(2-amino-4-chlorophenyl)sulfinyl-5-chloroaniline
CID 21272515
5-chloro-2-(5-oxaspiro[3.5]nonan-8-ylsulfinyl)aniline
CID 81174592
1-cyclohexyl-2-(2,5-dichlorophenyl)sulfinylethanone
CID 104756236
4-chloro-2-propylsulfinylaniline
CID 81180931
4-chloro-2-N-cyclooctylbenzene-1,2-diamine
CID 115468486
3-(2,5-dichlorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64716958
4-chloro-2-pentan-3-ylsulfinylaniline
CID 81181297
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide
CID 63115237
5-chloro-2-cycloheptylsulfonylaniline
CID 82935028

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cycloheptylsulfinylaniline?
The IUPAC name of 4-chloro-2-cycloheptylsulfinylaniline (CID 82935541) is 4-chloro-2-cycloheptylsulfinylaniline.
What is the SMILES notation for 4-chloro-2-cycloheptylsulfinylaniline?
The canonical SMILES for 4-chloro-2-cycloheptylsulfinylaniline is Nc1ccc(Cl)cc1S(=O)C1CCCCCC1.
What is the InChIKey of 4-chloro-2-cycloheptylsulfinylaniline?
The InChIKey is QNJCRJZJADYGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c14-10-7-8-12(15)13(9-10)17(16)11-5-3-1-2-4-6-11/h7-9,11H,1-6,15H2.
What are the key properties of 4-chloro-2-cycloheptylsulfinylaniline?
4-chloro-2-cycloheptylsulfinylaniline has a molecular weight of 271.81 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cycloheptylsulfinylaniline is sourced from PubChem (CID 82935541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).