N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide

C11H16ClNO3S — CID 106185346

IUPACN-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide
SMILESCOCC(CCl)NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H16ClNO3S/c1-9-5-3-4-6-11(9)17(14,15)13-10(7-12)8-16-2/h3-6,10,13H,7-8H2,1-2H3
InChIKeyFLKIKADZPQUQHD-UHFFFAOYSA-N
MW277.77 g/mol
LogP1.53
Rot. Bonds6

About N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide

N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide (PubChem CID 106185346) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide
PubChem CID106185346
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC NameN-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide
SMILESCOCC(CCl)NS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H16ClNO3S/c1-9-5-3-4-6-11(9)17(14,15)13-10(7-12)8-16-2/h3-6,10,13H,7-8H2,1-2H3
InChIKeyFLKIKADZPQUQHD-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide 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-(1-hydroxy-4-methoxybutan-2-yl)-2-methylbenzenesulfonamide
CID 114211608
2-cyano-N-(1-methoxybutan-2-yl)-3-methylbenzenesulfonamide
CID 86043312
N-(1-chloro-4-methylpentan-3-yl)-2-methylbenzenesulfonamide
CID 106356413
N-(1-bromo-3-methoxypropan-2-yl)naphthalene-1-sulfonamide
CID 106185259
2-methyl-N-[(1R)-2,2,2-trichloro-1-hydroxyethyl]benzenesulfonamide
CID 125486356
N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
CID 3701615
2-methyl-N-(2-methylpropoxy)benzenesulfonamide
CID 82714903
N-(1-chlorobutan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 65033438
5-tert-butyl-N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methylbenzenesulfonamide
CID 97071037
N-(1-chloro-3-methoxypropan-2-yl)-5-fluoropyridine-3-sulfonamide
CID 106185548
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylbenzenesulfonamide
CID 79023963
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide (CID 106185346) is N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide is COCC(CCl)NS(=O)(=O)c1ccccc1C.
What is the InChIKey of N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is FLKIKADZPQUQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-9-5-3-4-6-11(9)17(14,15)13-10(7-12)8-16-2/h3-6,10,13H,7-8H2,1-2H3.
What are the key properties of N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide?
N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 106185346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).