N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide

C26H27N3O3S — CID 121251851

IUPACN-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
SMILESCc1cc(C)c(Cn2c(C(=O)NS(=O)(=O)c3cccc(N)c3)cc3cccc(C)c32)c(C)c1
InChIInChI=1S/C26H27N3O3S/c1-16-11-18(3)23(19(4)12-16)15-29-24(13-20-8-5-7-17(2)25(20)29)26(30)28-33(31,32)22-10-6-9-21(27)14-22/h5-14H,15,27H2,1-4H3,(H,28,30)
InChIKeyIVHHZUYWDCJQTD-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.62
Rot. Bonds5

About N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide

N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide (PubChem CID 121251851) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
PubChem CID121251851
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC NameN-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
SMILESCc1cc(C)c(Cn2c(C(=O)NS(=O)(=O)c3cccc(N)c3)cc3cccc(C)c32)c(C)c1
InChIInChI=1S/C26H27N3O3S/c1-16-11-18(3)23(19(4)12-16)15-29-24(13-20-8-5-7-17(2)25(20)29)26(30)28-33(31,32)22-10-6-9-21(27)14-22/h5-14H,15,27H2,1-4H3,(H,28,30)
InChIKeyIVHHZUYWDCJQTD-UHFFFAOYSA-N
XLogP4.62
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 121252842
N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251964
N-(3-aminophenyl)sulfonyl-4-methoxy-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121251222
N-(benzenesulfonyl)-6-fluoro-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
CID 121252418
N-(3-aminophenyl)sulfonyl-3-tert-butyl-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121252002
N-(benzenesulfonyl)-1-[(3,5-dimethylphenyl)methyl]indole-2-carboxamide
CID 174891130
N-(3-aminophenyl)sulfonyl-3-(2-bicyclo[2.2.1]heptanyl)-1-[(2,6-dimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121253137
N-(3-aminophenyl)sulfonyl-3-tert-butyl-1-(naphthalen-1-ylmethyl)pyrazole-5-carboxamide
CID 121253120
N-(benzenesulfonyl)-3-tert-butyl-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121250562
2-(3-methoxyphenyl)sulfonyl-1-[1-[(2,4,6-trimethylphenyl)methyl]indol-2-yl]ethanone
CID 158019812
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
N-(3-methoxyphenyl)sulfonyl-1-methylindole-2-carboxamide
CID 86868998

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide (CID 121251851) is N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide is Cc1cc(C)c(Cn2c(C(=O)NS(=O)(=O)c3cccc(N)c3)cc3cccc(C)c32)c(C)c1.
What is the InChIKey of N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
The InChIKey is IVHHZUYWDCJQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-16-11-18(3)23(19(4)12-16)15-29-24(13-20-8-5-7-17(2)25(20)29)26(30)28-33(31,32)22-10-6-9-21(27)14-22/h5-14H,15,27H2,1-4H3,(H,28,30).
What are the key properties of N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)sulfonyl-7-methyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 121251851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).