4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide

C12H18ClNO4S — CID 27245832

IUPAC4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCCOC)ccc1Cl
InChIInChI=1S/C12H18ClNO4S/c1-3-18-12-9-10(5-6-11(12)13)19(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyVZDIQKNMLZPHCY-UHFFFAOYSA-N
MW307.80 g/mol
LogP2.05
Rot. Bonds8

About 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide

4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 27245832) has the molecular formula C12H18ClNO4S and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID27245832
Molecular FormulaC12H18ClNO4S
Molecular Weight307.80 g/mol
Exact Mass307.06
IUPAC Name4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCOc1cc(S(=O)(=O)NCCCOC)ccc1Cl
InChIInChI=1S/C12H18ClNO4S/c1-3-18-12-9-10(5-6-11(12)13)19(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyVZDIQKNMLZPHCY-UHFFFAOYSA-N
XLogP2.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
4-chloro-3-ethoxy-N-ethylbenzenesulfonamide
CID 6459389
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
4-chloro-3-ethoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 1259590

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide (CID 27245832) is 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide is CCOc1cc(S(=O)(=O)NCCCOC)ccc1Cl.
What is the InChIKey of 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is VZDIQKNMLZPHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4S/c1-3-18-12-9-10(5-6-11(12)13)19(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide?
4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 307.80 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 27245832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).