N-(2-chloroethoxy)benzenesulfonamide

C8H10ClNO3S — CID 70360166

IUPACN-(2-chloroethoxy)benzenesulfonamide
SMILESO=S(=O)(NOCCCl)c1ccccc1
InChIInChI=1S/C8H10ClNO3S/c9-6-7-13-10-14(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyOMVOYVXUPILIKE-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.14
Rot. Bonds5

About N-(2-chloroethoxy)benzenesulfonamide

N-(2-chloroethoxy)benzenesulfonamide (PubChem CID 70360166) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is N-(2-chloroethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloroethoxy)benzenesulfonamide
PubChem CID70360166
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC NameN-(2-chloroethoxy)benzenesulfonamide
SMILESO=S(=O)(NOCCCl)c1ccccc1
InChIInChI=1S/C8H10ClNO3S/c9-6-7-13-10-14(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2
InChIKeyOMVOYVXUPILIKE-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-propoxybenzenesulfonamide
CID 175370180
N-sulfanyloxybenzenesulfonamide
CID 173416385
3-methyl-N-(2-phenoxyethoxy)benzenesulfonamide
CID 110294740
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
N-(difluoromethoxy)benzenesulfonamide
CID 154499531
N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
CID 82715379
N-(benzenesulfonylmethyl)benzenesulfonamide
CID 23452744
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
CID 82714595
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)benzenesulfonamide
CID 164941118
N-[2-(benzenesulfonyl)ethoxy-(2-chloroethylamino)phosphoryl]-2-chloroethanamine
CID 11303814
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethoxy)benzenesulfonamide?
The IUPAC name of N-(2-chloroethoxy)benzenesulfonamide (CID 70360166) is N-(2-chloroethoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-chloroethoxy)benzenesulfonamide?
The canonical SMILES for N-(2-chloroethoxy)benzenesulfonamide is O=S(=O)(NOCCCl)c1ccccc1.
What is the InChIKey of N-(2-chloroethoxy)benzenesulfonamide?
The InChIKey is OMVOYVXUPILIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c9-6-7-13-10-14(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7H2.
What are the key properties of N-(2-chloroethoxy)benzenesulfonamide?
N-(2-chloroethoxy)benzenesulfonamide has a molecular weight of 235.69 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethoxy)benzenesulfonamide is sourced from PubChem (CID 70360166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).