N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide

C16H18N2O2S — CID 43604252

IUPACN-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-3-6-16(12(2)9-11)21(19,20)18-14-4-5-15-13(10-14)7-8-17-15/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyKTXHTOCYOIJZPJ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.07
Rot. Bonds3

About N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide

N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide (PubChem CID 43604252) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
PubChem CID43604252
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3)c(C)c1
InChIInChI=1S/C16H18N2O2S/c1-11-3-6-16(12(2)9-11)21(19,20)18-14-4-5-15-13(10-14)7-8-17-15/h3-6,9-10,17-18H,7-8H2,1-2H3
InChIKeyKTXHTOCYOIJZPJ-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide
CID 43604283
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 60824049
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604300
2,5-dimethyl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzenesulfonamide
CID 90524864
2,6-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604311
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761
2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
CID 110405656
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide
CID 63242833
N-(1H-indazol-6-yl)-2,4-dimethylbenzenesulfonamide
CID 2078539
N-(2-methylpropylsulfamoyl)-2,3-dihydro-1H-indol-5-amine
CID 114815982

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide (CID 43604252) is N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3)c(C)c1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is KTXHTOCYOIJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-3-6-16(12(2)9-11)21(19,20)18-14-4-5-15-13(10-14)7-8-17-15/h3-6,9-10,17-18H,7-8H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide?
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 43604252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).