5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide

C17H17N3O3S — CID 69088329

IUPAC5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(N)cc23)c1
InChIInChI=1S/C17H17N3O3S/c1-9-5-10(2)7-12(6-9)24(22,23)16-13-8-11(18)3-4-14(13)20-15(16)17(19)21/h3-8,20H,18H2,1-2H3,(H2,19,21)
InChIKeyDXIDDFOZLRTNMH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.30
Rot. Bonds3

About 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide

5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (PubChem CID 69088329) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
PubChem CID69088329
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(N)cc23)c1
InChIInChI=1S/C17H17N3O3S/c1-9-5-10(2)7-12(6-9)24(22,23)16-13-8-11(18)3-4-14(13)20-15(16)17(19)21/h3-8,20H,18H2,1-2H3,(H2,19,21)
InChIKeyDXIDDFOZLRTNMH-UHFFFAOYSA-N
XLogP2.30
TPSA119.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (CID 69088329) is 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(N)cc23)c1.
What is the InChIKey of 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The InChIKey is DXIDDFOZLRTNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-9-5-10(2)7-12(6-9)24(22,23)16-13-8-11(18)3-4-14(13)20-15(16)17(19)21/h3-8,20H,18H2,1-2H3,(H2,19,21).
What are the key properties of 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 69088329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).