N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide

C15H25ClN2O3S — CID 120712336

IUPACN-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCC(N)C(C)C)cc1Cl
InChIInChI=1S/C15H25ClN2O3S/c1-10(2)13(17)6-7-18(4)22(19,20)15-9-12(16)14(21-5)8-11(15)3/h8-10,13H,6-7,17H2,1-5H3
InChIKeyHLMZVXAHPFNTDR-UHFFFAOYSA-N
MW348.90 g/mol
LogP2.65
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide

N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide (PubChem CID 120712336) has the molecular formula C15H25ClN2O3S and a molecular weight of 348.90 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide
PubChem CID120712336
Molecular FormulaC15H25ClN2O3S
Molecular Weight348.90 g/mol
Exact Mass348.13
IUPAC NameN-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)CCC(N)C(C)C)cc1Cl
InChIInChI=1S/C15H25ClN2O3S/c1-10(2)13(17)6-7-18(4)22(19,20)15-9-12(16)14(21-5)8-11(15)3/h8-10,13H,6-7,17H2,1-5H3
InChIKeyHLMZVXAHPFNTDR-UHFFFAOYSA-N
XLogP2.65
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.90
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide (CID 120712336) is N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)CCC(N)C(C)C)cc1Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide?
The InChIKey is HLMZVXAHPFNTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O3S/c1-10(2)13(17)6-7-18(4)22(19,20)15-9-12(16)14(21-5)8-11(15)3/h8-10,13H,6-7,17H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide?
N-(3-amino-4-methylpentyl)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide has a molecular weight of 348.90 g/mol, XLogP of 2.65, 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)-5-chloro-4-methoxy-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 120712336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).