N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide

C13H21ClN2O2S — CID 43606378

IUPACN-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(N)CC(C)C
InChIInChI=1S/C13H21ClN2O2S/c1-9(2)7-11(15)8-16-19(17,18)13-6-4-5-12(14)10(13)3/h4-6,9,11,16H,7-8,15H2,1-3H3
InChIKeyMVLIYRUAZFGUSN-UHFFFAOYSA-N
MW304.84 g/mol
LogP2.30
Rot. Bonds6

About N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide

N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide (PubChem CID 43606378) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide
PubChem CID43606378
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC NameN-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(N)CC(C)C
InChIInChI=1S/C13H21ClN2O2S/c1-9(2)7-11(15)8-16-19(17,18)13-6-4-5-12(14)10(13)3/h4-6,9,11,16H,7-8,15H2,1-3H3
InChIKeyMVLIYRUAZFGUSN-UHFFFAOYSA-N
XLogP2.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
ethyl (2R)-3-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 97028994
N-(2-amino-4-methylpentyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43606292
N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide
CID 131702588
2-[(3-chloro-2-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 43361242
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
2,3-dichloro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030309
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
3-chloro-N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzenesulfonamide
CID 95368266
N-[(1-aminocyclobutyl)methyl]-3-chloro-2-methylbenzenesulfonamide
CID 113411813

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide (CID 43606378) is N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC(N)CC(C)C.
What is the InChIKey of N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is MVLIYRUAZFGUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2S/c1-9(2)7-11(15)8-16-19(17,18)13-6-4-5-12(14)10(13)3/h4-6,9,11,16H,7-8,15H2,1-3H3.
What are the key properties of N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide?
N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide has a molecular weight of 304.84 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43606378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).