N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide

C16H15ClN2O3S — CID 90701518

IUPACN-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide
SMILESO=C(CCl)c1ccc(NS(=O)(=O)c2ccc3c(c2)NCC3)cc1
InChIInChI=1S/C16H15ClN2O3S/c17-10-16(20)12-1-4-13(5-2-12)19-23(21,22)14-6-3-11-7-8-18-15(11)9-14/h1-6,9,18-19H,7-8,10H2
InChIKeyKDXALGDAOXSBDR-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.88
Rot. Bonds5

About N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide

N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide (PubChem CID 90701518) has the molecular formula C16H15ClN2O3S and a molecular weight of 350.83 g/mol. Its IUPAC name is N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide
PubChem CID90701518
Molecular FormulaC16H15ClN2O3S
Molecular Weight350.83 g/mol
Exact Mass350.05
IUPAC NameN-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide
SMILESO=C(CCl)c1ccc(NS(=O)(=O)c2ccc3c(c2)NCC3)cc1
InChIInChI=1S/C16H15ClN2O3S/c17-10-16(20)12-1-4-13(5-2-12)19-23(21,22)14-6-3-11-7-8-18-15(11)9-14/h1-6,9,18-19H,7-8,10H2
InChIKeyKDXALGDAOXSBDR-UHFFFAOYSA-N
XLogP2.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-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-thiophen-3-yl-2,3-dihydro-1H-indole-6-sulfonamide
CID 66356499
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 107585860
2-chloro-1-(2,3-dihydro-1H-indol-5-yl)ethanone;hydrochloride
CID 56766314
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 103094668
2-hydroxy-5-(1,2,3,4-tetrahydroquinolin-7-ylsulfamoyl)benzamide
CID 130406117
N-(thian-2-ylmethyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 80600536
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 114469007
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 114932717
N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 114468987
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide?
The IUPAC name of N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide (CID 90701518) is N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide.
What is the SMILES notation for N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide?
The canonical SMILES for N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide is O=C(CCl)c1ccc(NS(=O)(=O)c2ccc3c(c2)NCC3)cc1.
What is the InChIKey of N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide?
The InChIKey is KDXALGDAOXSBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3S/c17-10-16(20)12-1-4-13(5-2-12)19-23(21,22)14-6-3-11-7-8-18-15(11)9-14/h1-6,9,18-19H,7-8,10H2.
What are the key properties of N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide?
N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide has a molecular weight of 350.83 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroacetyl)phenyl]-2,3-dihydro-1H-indole-6-sulfonamide is sourced from PubChem (CID 90701518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).