N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide

C13H21ClN2O2S — CID 110664517

IUPACN-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O2S/c1-3-4-11-19(17,18)15-9-10-16(2)13-7-5-12(14)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyKZXRZBGTVRQHAZ-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.50
Rot. Bonds8

About N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide

N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide (PubChem CID 110664517) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide
PubChem CID110664517
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC NameN-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCN(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H21ClN2O2S/c1-3-4-11-19(17,18)15-9-10-16(2)13-7-5-12(14)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyKZXRZBGTVRQHAZ-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(butylsulfonylamino)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056291
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
N'-(4-chlorophenyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 115206325
N-[2-(5-chloro-1H-indol-3-yl)ethyl]butane-1-sulfonamide
CID 113083694
N-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113070022
N-[(2,4-dichlorophenyl)methyl]butane-1-sulfonamide
CID 19680731
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
N-[2-(2,4-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068823
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butane-1-sulfonamide
CID 110440589
4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline
CID 71322374
N-[2-(butylsulfonylamino)ethyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 113061347

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide (CID 110664517) is N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCN(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide?
The InChIKey is KZXRZBGTVRQHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-3-4-11-19(17,18)15-9-10-16(2)13-7-5-12(14)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide?
N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide has a molecular weight of 304.84 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-N-methylanilino)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110664517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).