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

C12H18ClNO4S — CID 110758135

IUPAC3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCOC)cc1Cl
InChIInChI=1S/C12H18ClNO4S/c1-3-18-12-6-5-10(9-11(12)13)19(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyPQYQBVGRUIMRRW-UHFFFAOYSA-N
MW307.80 g/mol
LogP2.05
Rot. Bonds8

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

3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 110758135) has the molecular formula C12H18ClNO4S and a molecular weight of 307.80 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID110758135
Molecular FormulaC12H18ClNO4S
Molecular Weight307.80 g/mol
Exact Mass307.06
IUPAC Name3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCOC)cc1Cl
InChIInChI=1S/C12H18ClNO4S/c1-3-18-12-6-5-10(9-11(12)13)19(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyPQYQBVGRUIMRRW-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

4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
methyl 2-chloro-5-(3-methoxypropylsulfamoyl)benzoate
CID 100769716
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
3-chloro-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6464011
3-cyano-4-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 171134172
3-amino-4-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 43258870
N-[(2S)-butan-2-yl]-3-chloro-4-ethoxybenzenesulfonamide
CID 124505539
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide (CID 110758135) is 3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCCOC)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is PQYQBVGRUIMRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4S/c1-3-18-12-6-5-10(9-11(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 3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide?
3-chloro-4-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 3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 110758135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).