2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide

C17H25NO2S — CID 11001307

IUPAC2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide
SMILESC=C=CC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C17H25NO2S/c1-7-8-9-16(12(2)3)18-21(19,20)17-14(5)10-13(4)11-15(17)6/h8,10-12,16,18H,1,9H2,2-6H3/t16-/m1/s1
InChIKeyOCFXBIXURPPRQI-MRXNPFEDSA-N
MW307.46 g/mol
LogP3.65
Rot. Bonds6

About 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide

2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide (PubChem CID 11001307) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide
PubChem CID11001307
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide
SMILESC=C=CC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C
InChIInChI=1S/C17H25NO2S/c1-7-8-9-16(12(2)3)18-21(19,20)17-14(5)10-13(4)11-15(17)6/h8,10-12,16,18H,1,9H2,2-6H3/t16-/m1/s1
InChIKeyOCFXBIXURPPRQI-MRXNPFEDSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide (CID 11001307) is 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide is C=C=CC[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(C)C.
What is the InChIKey of 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide?
The InChIKey is OCFXBIXURPPRQI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-7-8-9-16(12(2)3)18-21(19,20)17-14(5)10-13(4)11-15(17)6/h8,10-12,16,18H,1,9H2,2-6H3/t16-/m1/s1.
What are the key properties of 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide?
2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide has a molecular weight of 307.46 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(3R)-2-methylhepta-5,6-dien-3-yl]benzenesulfonamide is sourced from PubChem (CID 11001307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).