3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide

C16H16ClNO2S — CID 5019779

IUPAC3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C16H16ClNO2S/c1-11-5-8-15(10-16(11)17)21(19,20)18-14-7-6-12-3-2-4-13(12)9-14/h5-10,18H,2-4H2,1H3
InChIKeyGLTWQEKTXXLAGH-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.94
Rot. Bonds3

About 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide

3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide (PubChem CID 5019779) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
PubChem CID5019779
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C16H16ClNO2S/c1-11-5-8-15(10-16(11)17)21(19,20)18-14-7-6-12-3-2-4-13(12)9-14/h5-10,18H,2-4H2,1H3
InChIKeyGLTWQEKTXXLAGH-UHFFFAOYSA-N
XLogP3.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
3-chloro-4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448468
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 47309744
3-chloro-N-(1-ethyl-2-oxo-3H-indol-5-yl)-4-methylbenzenesulfonamide
CID 41342459
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 4816110
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
CID 30286317
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389543
N-(3-chloro-4-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 126416212
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide (CID 5019779) is 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1Cl.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is GLTWQEKTXXLAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11-5-8-15(10-16(11)17)21(19,20)18-14-7-6-12-3-2-4-13(12)9-14/h5-10,18H,2-4H2,1H3.
What are the key properties of 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide?
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide has a molecular weight of 321.83 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 5019779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).