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

C19H19N3O3S — CID 121293857

IUPAC4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1
InChIInChI=1S/C19H19N3O3S/c1-4-26(24,25)22-14-7-5-6-13(10-14)15-8-9-16(19(20)23)18-17(15)11(2)12(3)21-18/h4-10,21-22H,1H2,2-3H3,(H2,20,23)
InChIKeyJNNDLQDMNXKSCP-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.44
Rot. Bonds5

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

4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 121293857) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID121293857
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1
InChIInChI=1S/C19H19N3O3S/c1-4-26(24,25)22-14-7-5-6-13(10-14)15-8-9-16(19(20)23)18-17(15)11(2)12(3)21-18/h4-10,21-22H,1H2,2-3H3,(H2,20,23)
InChIKeyJNNDLQDMNXKSCP-UHFFFAOYSA-N
XLogP3.44
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(ethenylsulfonylamino)-2-methylphenyl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294143
4-(1-ethenylsulfonyl-2,3-dihydroindol-6-yl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 121294105
3-methyl-4-[3-(2-methylprop-2-enoylamino)phenyl]-1H-indole-7-carboxamide
CID 175081872
N-(3-methylphenyl)ethenesulfonamide
CID 58724758
4-[3-(ethenylsulfonylamino)phenyl]-2-ethyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 134538309
4-[3-(methanesulfonamido)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
CID 130416260
4-[3-[[(Z)-but-2-enoyl]amino]phenyl]-1H-indole-7-carboxamide
CID 141436482
2,3-dimethyl-4-(1-prop-2-enoylpyrrolidin-3-yl)-1H-indole-7-carboxamide
CID 121293914
7-(2-hydroxypropan-2-yl)-4-[3-[methyl(prop-2-enoyl)amino]phenyl]-9H-carbazole-1-carboxamide
CID 130362292
2,3-dimethyl-4-[[(3R)-1-prop-2-enoylpyrrolidin-3-yl]amino]-1H-indole-7-carboxamide
CID 121294112
5-fluoro-2,3-dimethyl-4-(4-prop-2-enoyl-2,3-dihydro-1,4-benzothiazin-8-yl)-1H-indole-7-carboxamide
CID 121294063
7-[3-(2-ethenylsulfonylethyl)phenyl]-1,2-dimethyl-3H-indene-4-carboxamide
CID 147501763

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of 4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 121293857) is 4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for 4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide is C=CS(=O)(=O)Nc1cccc(-c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)c1.
What is the InChIKey of 4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is JNNDLQDMNXKSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-4-26(24,25)22-14-7-5-6-13(10-14)15-8-9-16(19(20)23)18-17(15)11(2)12(3)21-18/h4-10,21-22H,1H2,2-3H3,(H2,20,23).
What are the key properties of 4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide?
4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethenylsulfonylamino)phenyl]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 121293857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).