N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide

C11H18Cl2N2O2S2 — CID 115317576

IUPACN-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H18Cl2N2O2S2/c1-7(2)8(14)4-5-15(3)19(16,17)9-6-10(12)18-11(9)13/h6-8H,4-5,14H2,1-3H3
InChIKeyHEQGVRBXVVSLFF-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.05
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide

N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide (PubChem CID 115317576) has the molecular formula C11H18Cl2N2O2S2 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide
PubChem CID115317576
Molecular FormulaC11H18Cl2N2O2S2
Molecular Weight345.32 g/mol
Exact Mass344.02
IUPAC NameN-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide
SMILESCC(C)C(N)CCN(C)S(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H18Cl2N2O2S2/c1-7(2)8(14)4-5-15(3)19(16,17)9-6-10(12)18-11(9)13/h6-8H,4-5,14H2,1-3H3
InChIKeyHEQGVRBXVVSLFF-UHFFFAOYSA-N
XLogP3.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.05
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)-2,5-dichloro-N-methylthiophene-3-sulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide (CID 115317576) is N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide is CC(C)C(N)CCN(C)S(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide?
The InChIKey is HEQGVRBXVVSLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N2O2S2/c1-7(2)8(14)4-5-15(3)19(16,17)9-6-10(12)18-11(9)13/h6-8H,4-5,14H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide?
N-(3-amino-4-methylpentyl)-2,5-dichloro-N-methylthiophene-3-sulfonamide has a molecular weight of 345.32 g/mol, XLogP of 3.05, 6 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)-2,5-dichloro-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 115317576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).