2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide

C23H26N2O2S — CID 25327185

IUPAC2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(C)c1C
InChIInChI=1S/C23H26N2O2S/c1-15-16(2)18(4)23(19(5)17(15)3)28(26,27)25-22(20-11-7-6-8-12-20)21-13-9-10-14-24-21/h6-14,22,25H,1-5H3/t22-/m0/s1
InChIKeyNKJDAPOTGQWNTK-QFIPXVFZSA-N
MW394.54 g/mol
LogP4.69
Rot. Bonds5

About 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide

2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 25327185) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID25327185
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(C)c1C
InChIInChI=1S/C23H26N2O2S/c1-15-16(2)18(4)23(19(5)17(15)3)28(26,27)25-22(20-11-7-6-8-12-20)21-13-9-10-14-24-21/h6-14,22,25H,1-5H3/t22-/m0/s1
InChIKeyNKJDAPOTGQWNTK-QFIPXVFZSA-N
XLogP4.69
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754
3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 95145320
2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
CID 142506802
3-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534526
2-ethylsulfonyl-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 103948036

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide (CID 25327185) is 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is NKJDAPOTGQWNTK-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-15-16(2)18(4)23(19(5)17(15)3)28(26,27)25-22(20-11-7-6-8-12-20)21-13-9-10-14-24-21/h6-14,22,25H,1-5H3/t22-/m0/s1.
What are the key properties of 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 394.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 25327185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).