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

C14H23ClN2O3S — CID 115317679

IUPACN-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H23ClN2O3S/c1-10(2)12(16)7-8-17(3)21(18,19)14-6-5-11(15)9-13(14)20-4/h5-6,9-10,12H,7-8,16H2,1-4H3
InChIKeyGBOYFAZJLLZWIH-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.34
Rot. Bonds7

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

N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 115317679) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide
PubChem CID115317679
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC NameN-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1cc(Cl)ccc1S(=O)(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H23ClN2O3S/c1-10(2)12(16)7-8-17(3)21(18,19)14-6-5-11(15)9-13(14)20-4/h5-6,9-10,12H,7-8,16H2,1-4H3
InChIKeyGBOYFAZJLLZWIH-UHFFFAOYSA-N
XLogP2.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide
CID 120712336
N-(3-amino-4-methylpentyl)-2-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 115317721
methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
CID 43422565
N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide
CID 115317576
N-(3-amino-4-methylpentyl)-2,3-dichloro-N-methylbenzenesulfonamide;hydrochloride
CID 119991964
4-chloro-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 54879156
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368
N-(3-amino-4-methylpentyl)-N,2-dimethylbenzenesulfonamide
CID 115317722
4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 61233833
3-methoxy-4-[methyl(3-methylbutyl)sulfamoyl]benzoic acid
CID 102694750
2-amino-5-chloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61113994
N-(3-amino-4-methylpentyl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 119992136

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide (CID 115317679) is N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide is COc1cc(Cl)ccc1S(=O)(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is GBOYFAZJLLZWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-10(2)12(16)7-8-17(3)21(18,19)14-6-5-11(15)9-13(14)20-4/h5-6,9-10,12H,7-8,16H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide?
N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 334.87 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-4-chloro-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 115317679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).