3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide

C22H30N2O3S — CID 3874725

IUPAC3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2)c(C(C)C)c1
InChIInChI=1S/C22H30N2O3S/c1-13(2)17-11-19(14(3)4)21(20(12-17)15(5)6)28(26,27)24-18-9-7-8-16(10-18)22(23)25/h7-15,24H,1-6H3,(H2,23,25)
InChIKeyUSPRUVGEMVWMHK-UHFFFAOYSA-N
MW402.56 g/mol
LogP4.96
Rot. Bonds7

About 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide

3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide (PubChem CID 3874725) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide
PubChem CID3874725
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2)c(C(C)C)c1
InChIInChI=1S/C22H30N2O3S/c1-13(2)17-11-19(14(3)4)21(20(12-17)15(5)6)28(26,27)24-18-9-7-8-16(10-18)22(23)25/h7-15,24H,1-6H3,(H2,23,25)
InChIKeyUSPRUVGEMVWMHK-UHFFFAOYSA-N
XLogP4.96
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
3-[2-[3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 68687740
2-[2-[3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 68691726
N-[4-(hydroxymethyl)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 4677892
3-(sulfamoylamino)benzamide
CID 57051238
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
N-(3-chloro-4-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3407312
N-[4-anilino-3-(methanesulfonamido)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 57088176
3-(naphthalen-2-ylsulfonylamino)benzamide
CID 18084662
3-[(5-chloro-1-methylimidazol-4-yl)sulfonylamino]benzamide
CID 60747411
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779

Frequently Asked Questions

What is the IUPAC name of 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide (CID 3874725) is 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide is CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc(C(N)=O)c2)c(C(C)C)c1.
What is the InChIKey of 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide?
The InChIKey is USPRUVGEMVWMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-13(2)17-11-19(14(3)4)21(20(12-17)15(5)6)28(26,27)24-18-9-7-8-16(10-18)22(23)25/h7-15,24H,1-6H3,(H2,23,25).
What are the key properties of 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide?
3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide has a molecular weight of 402.56 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 3874725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).