5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline

C17H18N2O2S — CID 57152903

IUPAC5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline
SMILESCc1ccc(S(=O)(=O)c2c(C)n(C)c3ccccc23)cc1N
InChIInChI=1S/C17H18N2O2S/c1-11-8-9-13(10-15(11)18)22(20,21)17-12(2)19(3)16-7-5-4-6-14(16)17/h4-10H,18H2,1-3H3
InChIKeyJIDWMTBXHIWILY-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.21
Rot. Bonds2

About 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline

5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline (PubChem CID 57152903) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline.

Molecular Properties

Compound Name5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline
PubChem CID57152903
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline
SMILESCc1ccc(S(=O)(=O)c2c(C)n(C)c3ccccc23)cc1N
InChIInChI=1S/C17H18N2O2S/c1-11-8-9-13(10-15(11)18)22(20,21)17-12(2)19(3)16-7-5-4-6-14(16)17/h4-10H,18H2,1-3H3
InChIKeyJIDWMTBXHIWILY-UHFFFAOYSA-N
XLogP3.21
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethylindole-3-sulfonyl fluoride
CID 82287934
2-amino-3-(benzenesulfonyl)-1-methylquinolin-4-one
CID 12554174
2-(1,2-dimethylindol-3-yl)sulfonylacetic acid
CID 82487302
1,2-dimethylindole-3-sulfonic acid;pyridin-1-ium
CID 160523045
(2R)-2-[(1,2-dimethylindol-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 122069299
(3R)-1-(1,2-dimethylindol-3-yl)sulfonylpyrrolidin-3-amine
CID 120999176
1-(3-amino-4-methylphenyl)quinazolin-4-one
CID 82513868
5-(benzenesulfonyl)-3-(3,3-dimethylbutyl)-1,2-dimethylindole
CID 173217873
2-(1,2-dimethyl-5-naphthalen-1-ylsulfonylindol-3-yl)ethanamine
CID 10199679
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
N-(5,6-dimethoxy-3-pyridinyl)-1,2-dimethylindole-3-sulfonamide
CID 167950722
2-[(1,2-dimethylindol-3-yl)sulfonyl-methylamino]propanoic acid
CID 122069004

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline?
The IUPAC name of 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline (CID 57152903) is 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline.
What is the SMILES notation for 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline?
The canonical SMILES for 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline is Cc1ccc(S(=O)(=O)c2c(C)n(C)c3ccccc23)cc1N.
What is the InChIKey of 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline?
The InChIKey is JIDWMTBXHIWILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-11-8-9-13(10-15(11)18)22(20,21)17-12(2)19(3)16-7-5-4-6-14(16)17/h4-10H,18H2,1-3H3.
What are the key properties of 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline?
5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline has a molecular weight of 314.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylindol-3-yl)sulfonyl-2-methylaniline is sourced from PubChem (CID 57152903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).