N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

C21H30N2O2S — CID 3407231

IUPACN-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1
InChIInChI=1S/C21H30N2O2S/c1-13(2)17-11-18(14(3)4)21(19(12-17)15(5)6)26(24,25)23-20-10-8-9-16(7)22-20/h8-15H,1-7H3,(H,22,23)
InChIKeyRXLOEVLHERVVHN-UHFFFAOYSA-N
MW374.55 g/mol
LogP5.56
Rot. Bonds6

About N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 3407231) has the molecular formula C21H30N2O2S and a molecular weight of 374.55 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID3407231
Molecular FormulaC21H30N2O2S
Molecular Weight374.55 g/mol
Exact Mass374.20
IUPAC NameN-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1
InChIInChI=1S/C21H30N2O2S/c1-13(2)17-11-18(14(3)4)21(19(12-17)15(5)6)26(24,25)23-20-10-8-9-16(7)22-20/h8-15H,1-7H3,(H,22,23)
InChIKeyRXLOEVLHERVVHN-UHFFFAOYSA-N
XLogP5.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminoethyl)-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 43094459
4-hydrazinyl-2,6-dimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 107327748
bis(iodoiodanuidyl)iodanium;hydron;bis(2,4,6-trimethyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide)
CID 139147124
N-(2,5-dimethylphenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 2058209
1-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-2-sulfonamide
CID 106086976
3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide
CID 3874725
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3256041
N-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 893587
4-methoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 3857714
2,4-dichloro-5-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 16644970
N-[4-(hydroxymethyl)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 4677892
N-methylmethanesulfonamide;N-methyl-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 123143002

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 3407231) is N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is RXLOEVLHERVVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2S/c1-13(2)17-11-18(14(3)4)21(19(12-17)15(5)6)26(24,25)23-20-10-8-9-16(7)22-20/h8-15H,1-7H3,(H,22,23).
What are the key properties of N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 374.55 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3407231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).