2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide

C14H24ClN3O4S2 — CID 113066442

IUPAC2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide
SMILESCN(C)CCCN(CCNS(=O)(=O)c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H24ClN3O4S2/c1-17(2)10-6-11-18(23(3,19)20)12-9-16-24(21,22)14-8-5-4-7-13(14)15/h4-5,7-8,16H,6,9-12H2,1-3H3
InChIKeyLBOBLTTUEOLIAM-UHFFFAOYSA-N
MW397.95 g/mol
LogP0.83
Rot. Bonds10

About 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide

2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide (PubChem CID 113066442) has the molecular formula C14H24ClN3O4S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide
PubChem CID113066442
Molecular FormulaC14H24ClN3O4S2
Molecular Weight397.95 g/mol
Exact Mass397.09
IUPAC Name2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide
SMILESCN(C)CCCN(CCNS(=O)(=O)c1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H24ClN3O4S2/c1-17(2)10-6-11-18(23(3,19)20)12-9-16-24(21,22)14-8-5-4-7-13(14)15/h4-5,7-8,16H,6,9-12H2,1-3H3
InChIKeyLBOBLTTUEOLIAM-UHFFFAOYSA-N
XLogP0.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-[3-(dimethylamino)propyl]acetamide
CID 113053852
2-chloro-N-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]benzenesulfonamide
CID 113065331
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 113053636
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065440
2-chloro-N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]benzenesulfonamide
CID 113065880
N-[3-(dimethylamino)propyl]-2-hydroxybenzenesulfonamide
CID 81242201
N-(3-bromopropyl)-2-chlorobenzenesulfonamide
CID 43133713
N-butyl-N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]acetamide
CID 113052499
N-[(2-chlorophenyl)methyl]-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138353
2-amino-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 16782691
3-bromo-N-[3-(dimethylamino)propyl]-2-methylbenzenesulfonamide
CID 134282662
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2-methoxyphenyl)acetamide
CID 113060525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide (CID 113066442) is 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide is CN(C)CCCN(CCNS(=O)(=O)c1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is LBOBLTTUEOLIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O4S2/c1-17(2)10-6-11-18(23(3,19)20)12-9-16-24(21,22)14-8-5-4-7-13(14)15/h4-5,7-8,16H,6,9-12H2,1-3H3.
What are the key properties of 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide?
2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 397.95 g/mol, XLogP of 0.83, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[3-(dimethylamino)propyl-methylsulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113066442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).