4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide

C15H15ClN2O2S — CID 43745883

IUPAC4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC2CCc3ccccc32)c1
InChIInChI=1S/C15H15ClN2O2S/c16-13-7-6-11(21(17,19)20)9-15(13)18-14-8-5-10-3-1-2-4-12(10)14/h1-4,6-7,9,14,18H,5,8H2,(H2,17,19,20)
InChIKeyDRGKTPLRCUKREW-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.09
Rot. Bonds3

About 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide

4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide (PubChem CID 43745883) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide
PubChem CID43745883
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c(NC2CCc3ccccc32)c1
InChIInChI=1S/C15H15ClN2O2S/c16-13-7-6-11(21(17,19)20)9-15(13)18-14-8-5-10-3-1-2-4-12(10)14/h1-4,6-7,9,14,18H,5,8H2,(H2,17,19,20)
InChIKeyDRGKTPLRCUKREW-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide?
The IUPAC name of 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide (CID 43745883) is 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide?
The canonical SMILES for 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c(NC2CCc3ccccc32)c1.
What is the InChIKey of 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide?
The InChIKey is DRGKTPLRCUKREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-13-7-6-11(21(17,19)20)9-15(13)18-14-8-5-10-3-1-2-4-12(10)14/h1-4,6-7,9,14,18H,5,8H2,(H2,17,19,20).
What are the key properties of 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide?
4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,3-dihydro-1H-inden-1-ylamino)benzenesulfonamide is sourced from PubChem (CID 43745883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).