3-chloro-N-ethoxybenzenesulfonamide

C8H10ClNO3S — CID 60700498

IUPAC3-chloro-N-ethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNO3S/c1-2-13-10-14(11,12)8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKeyAULDDVCVWMAVIL-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.57
Rot. Bonds4

About 3-chloro-N-ethoxybenzenesulfonamide

3-chloro-N-ethoxybenzenesulfonamide (PubChem CID 60700498) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 3-chloro-N-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethoxybenzenesulfonamide
PubChem CID60700498
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name3-chloro-N-ethoxybenzenesulfonamide
SMILESCCONS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNO3S/c1-2-13-10-14(11,12)8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3
InChIKeyAULDDVCVWMAVIL-UHFFFAOYSA-N
XLogP1.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-chloro-N-ethoxybenzenesulfonamide
CID 106605703
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
3-chloro-N-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 110417469
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3-chlorobenzenesulfonohydrazide
CID 12924057
(3-chlorophenyl)-ethyl-imino-oxo-λ6-sulfane
CID 134690739
N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide
CID 47269873
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
methyl 3-[(3-chlorophenyl)sulfonylamino]-2-iodopropanoate
CID 103493655
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 90598861
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
N-ethoxy-3,5-difluorobenzenesulfonamide
CID 60700443

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-ethoxybenzenesulfonamide (CID 60700498) is 3-chloro-N-ethoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-ethoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-ethoxybenzenesulfonamide is CCONS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-ethoxybenzenesulfonamide?
The InChIKey is AULDDVCVWMAVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-2-13-10-14(11,12)8-5-3-4-7(9)6-8/h3-6,10H,2H2,1H3.
What are the key properties of 3-chloro-N-ethoxybenzenesulfonamide?
3-chloro-N-ethoxybenzenesulfonamide has a molecular weight of 235.69 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethoxybenzenesulfonamide is sourced from PubChem (CID 60700498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).