N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide

C17H17N3O3S — CID 9441664

IUPACN-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17N3O3S/c1-20(2)24(22,23)13-7-5-6-12(10-13)19-17(21)15-11-18-16-9-4-3-8-14(15)16/h3-11,18H,1-2H3,(H,19,21)
InChIKeySDUZLAFEODNBTC-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.67
Rot. Bonds4

About N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide

N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 9441664) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide
PubChem CID9441664
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17N3O3S/c1-20(2)24(22,23)13-7-5-6-12(10-13)19-17(21)15-11-18-16-9-4-3-8-14(15)16/h3-11,18H,1-2H3,(H,19,21)
InChIKeySDUZLAFEODNBTC-UHFFFAOYSA-N
XLogP2.67
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide (CID 9441664) is N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide is CN(C)S(=O)(=O)c1cccc(NC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is SDUZLAFEODNBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20(2)24(22,23)13-7-5-6-12(10-13)19-17(21)15-11-18-16-9-4-3-8-14(15)16/h3-11,18H,1-2H3,(H,19,21).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide?
N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 9441664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).