N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide

C14H23ClN2O4S2 — CID 113070022

IUPACN-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(c1cccc(Cl)c1C)S(C)(=O)=O
InChIInChI=1S/C14H23ClN2O4S2/c1-4-5-11-23(20,21)16-9-10-17(22(3,18)19)14-8-6-7-13(15)12(14)2/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyPXSYEFINDOHMMU-UHFFFAOYSA-N
MW382.94 g/mol
LogP2.13
Rot. Bonds9

About N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide

N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide (PubChem CID 113070022) has the molecular formula C14H23ClN2O4S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
PubChem CID113070022
Molecular FormulaC14H23ClN2O4S2
Molecular Weight382.94 g/mol
Exact Mass382.08
IUPAC NameN-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(c1cccc(Cl)c1C)S(C)(=O)=O
InChIInChI=1S/C14H23ClN2O4S2/c1-4-5-11-23(20,21)16-9-10-17(22(3,18)19)14-8-6-7-13(15)12(14)2/h6-8,16H,4-5,9-11H2,1-3H3
InChIKeyPXSYEFINDOHMMU-UHFFFAOYSA-N
XLogP2.13
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068888
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068823
N-(3-chloro-2-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113059773
3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143958
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069984
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3-methylbutanamide
CID 113069981
tert-butyl N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]carbamate
CID 113070014
N-[2-(butylsulfonylamino)ethyl]-N-(2,3-dimethylphenyl)acetamide
CID 113058249
N-(3-chloro-2-methylphenyl)butane-1-sulfonamide
CID 22774000
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]thiophene-2-carboxamide
CID 113069987
N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]propane-1-sulfonamide
CID 113068747

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide (CID 113070022) is N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCN(c1cccc(Cl)c1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide?
The InChIKey is PXSYEFINDOHMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O4S2/c1-4-5-11-23(20,21)16-9-10-17(22(3,18)19)14-8-6-7-13(15)12(14)2/h6-8,16H,4-5,9-11H2,1-3H3.
What are the key properties of N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide?
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide has a molecular weight of 382.94 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 113070022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).