4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide

C20H21N3O3S — CID 121293963

IUPAC4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1
InChIInChI=1S/C20H21N3O3S/c1-5-27(25,26)23(4)15-8-6-7-14(11-15)16-9-10-17(20(21)24)19-18(16)12(2)13(3)22-19/h5-11,22H,1H2,2-4H3,(H2,21,24)
InChIKeyRCPFXJSYEQFUSS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.46
Rot. Bonds5

About 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide

4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 121293963) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID121293963
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1
InChIInChI=1S/C20H21N3O3S/c1-5-27(25,26)23(4)15-8-6-7-14(11-15)16-9-10-17(20(21)24)19-18(16)12(2)13(3)22-19/h5-11,22H,1H2,2-4H3,(H2,21,24)
InChIKeyRCPFXJSYEQFUSS-UHFFFAOYSA-N
XLogP3.46
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 121293963) is 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide is C=CS(=O)(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1.
What is the InChIKey of 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is RCPFXJSYEQFUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-5-27(25,26)23(4)15-8-6-7-14(11-15)16-9-10-17(20(21)24)19-18(16)12(2)13(3)22-19/h5-11,22H,1H2,2-4H3,(H2,21,24).
What are the key properties of 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethenylsulfonyl(methyl)amino]phenyl]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 121293963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).