4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide

C15H22N2O3S — CID 83166305

IUPAC4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide
SMILESCOc1cccc2c1c(S(N)(=O)=O)cn2CCCC(C)C
InChIInChI=1S/C15H22N2O3S/c1-11(2)6-5-9-17-10-14(21(16,18)19)15-12(17)7-4-8-13(15)20-3/h4,7-8,10-11H,5-6,9H2,1-3H3,(H2,16,18,19)
InChIKeyVXYRGCVWLVYSOB-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.73
Rot. Bonds6

About 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide

4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide (PubChem CID 83166305) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide.

Molecular Properties

Compound Name4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide
PubChem CID83166305
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide
SMILESCOc1cccc2c1c(S(N)(=O)=O)cn2CCCC(C)C
InChIInChI=1S/C15H22N2O3S/c1-11(2)6-5-9-17-10-14(21(16,18)19)15-12(17)7-4-8-13(15)20-3/h4,7-8,10-11H,5-6,9H2,1-3H3,(H2,16,18,19)
InChIKeyVXYRGCVWLVYSOB-UHFFFAOYSA-N
XLogP2.73
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide?
The IUPAC name of 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide (CID 83166305) is 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide.
What is the SMILES notation for 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide?
The canonical SMILES for 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide is COc1cccc2c1c(S(N)(=O)=O)cn2CCCC(C)C.
What is the InChIKey of 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide?
The InChIKey is VXYRGCVWLVYSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(2)6-5-9-17-10-14(21(16,18)19)15-12(17)7-4-8-13(15)20-3/h4,7-8,10-11H,5-6,9H2,1-3H3,(H2,16,18,19).
What are the key properties of 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide?
4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide has a molecular weight of 310.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methylpentyl)indole-3-sulfonamide is sourced from PubChem (CID 83166305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).