N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

C16H22ClNO2S — CID 106136241

IUPACN-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCC1CCC(Cl)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22ClNO2S/c17-15-7-4-12(5-8-15)11-18-21(19,20)16-9-6-13-2-1-3-14(13)10-16/h6,9-10,12,15,18H,1-5,7-8,11H2
InChIKeyGCAOEHYLXNYNGL-UHFFFAOYSA-N
MW327.88 g/mol
LogP3.25
Rot. Bonds4

About N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 106136241) has the molecular formula C16H22ClNO2S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID106136241
Molecular FormulaC16H22ClNO2S
Molecular Weight327.88 g/mol
Exact Mass327.11
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(NCC1CCC(Cl)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H22ClNO2S/c17-15-7-4-12(5-8-15)11-18-21(19,20)16-9-6-13-2-1-3-14(13)10-16/h6,9-10,12,15,18H,1-5,7-8,11H2
InChIKeyGCAOEHYLXNYNGL-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide 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

N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 106136147
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 94008867
N-[(4-chlorocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 106136198
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
N-(cyclopropylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 24667154
N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(cyclopentylmethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 43067731
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26531885
N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114295990

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 106136241) is N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(NCC1CCC(Cl)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is GCAOEHYLXNYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2S/c17-15-7-4-12(5-8-15)11-18-21(19,20)16-9-6-13-2-1-3-14(13)10-16/h6,9-10,12,15,18H,1-5,7-8,11H2.
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 327.88 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 106136241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).