4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide

C13H21ClN2O5S2 — CID 113066109

IUPAC4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
SMILESCOCCCN(CCNS(=O)(=O)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C13H21ClN2O5S2/c1-21-11-3-9-16(22(2,17)18)10-8-15-23(19,20)13-6-4-12(14)5-7-13/h4-7,15H,3,8-11H2,1-2H3
InChIKeySXIXQKXXTKEAMC-UHFFFAOYSA-N
MW384.91 g/mol
LogP0.92
Rot. Bonds10

About 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide

4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide (PubChem CID 113066109) has the molecular formula C13H21ClN2O5S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
PubChem CID113066109
Molecular FormulaC13H21ClN2O5S2
Molecular Weight384.91 g/mol
Exact Mass384.06
IUPAC Name4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
SMILESCOCCCN(CCNS(=O)(=O)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C13H21ClN2O5S2/c1-21-11-3-9-16(22(2,17)18)10-8-15-23(19,20)13-6-4-12(14)5-7-13/h4-7,15H,3,8-11H2,1-2H3
InChIKeySXIXQKXXTKEAMC-UHFFFAOYSA-N
XLogP0.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113066106
4-fluoro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113066025
4-chloro-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]-3-methylbenzenesulfonamide
CID 113066039
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 10540463
4-fluoro-N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064906
N-[2-[methylsulfonyl(propyl)amino]ethyl]benzenesulfonamide
CID 113064904
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-methoxy-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 113065291
N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]methanesulfonamide
CID 113066009

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide (CID 113066109) is 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide is COCCCN(CCNS(=O)(=O)c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
The InChIKey is SXIXQKXXTKEAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O5S2/c1-21-11-3-9-16(22(2,17)18)10-8-15-23(19,20)13-6-4-12(14)5-7-13/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide?
4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide has a molecular weight of 384.91 g/mol, XLogP of 0.92, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-methoxypropyl(methylsulfonyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113066109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).