3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide

C19H26N2O4S2 — CID 60532632

IUPAC3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(C)C)c2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C19H26N2O4S2/c1-12(2)16-8-7-9-17(11-16)20-27(24,25)19-14(4)10-13(3)18(15(19)5)21-26(6,22)23/h7-12,20-21H,1-6H3
InChIKeyKZKNXJLRNSIMPH-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.91
Rot. Bonds6

About 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide

3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 60532632) has the molecular formula C19H26N2O4S2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide
PubChem CID60532632
Molecular FormulaC19H26N2O4S2
Molecular Weight410.56 g/mol
Exact Mass410.13
IUPAC Name3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(C(C)C)c2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C19H26N2O4S2/c1-12(2)16-8-7-9-17(11-16)20-27(24,25)19-14(4)10-13(3)18(15(19)5)21-26(6,22)23/h7-12,20-21H,1-6H3
InChIKeyKZKNXJLRNSIMPH-UHFFFAOYSA-N
XLogP3.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide (CID 60532632) is 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(C)C)c2)c(C)c1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is KZKNXJLRNSIMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S2/c1-12(2)16-8-7-9-17(11-16)20-27(24,25)19-14(4)10-13(3)18(15(19)5)21-26(6,22)23/h7-12,20-21H,1-6H3.
What are the key properties of 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide?
3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 410.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2,4,6-trimethyl-N-(3-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 60532632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).