2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride

C16H14ClNO3S — CID 110094606

IUPAC2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride
SMILESO=C(NC1Cc2ccc(S(=O)(=O)Cl)cc2C1)c1ccccc1
InChIInChI=1S/C16H14ClNO3S/c17-22(20,21)15-7-6-12-8-14(9-13(12)10-15)18-16(19)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,18,19)
InChIKeyNRWOUQCUNGTNSX-UHFFFAOYSA-N
MW335.81 g/mol
LogP2.51
Rot. Bonds3

About 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride

2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride (PubChem CID 110094606) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride.

Molecular Properties

Compound Name2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride
PubChem CID110094606
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Name2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride
SMILESO=C(NC1Cc2ccc(S(=O)(=O)Cl)cc2C1)c1ccccc1
InChIInChI=1S/C16H14ClNO3S/c17-22(20,21)15-7-6-12-8-14(9-13(12)10-15)18-16(19)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,18,19)
InChIKeyNRWOUQCUNGTNSX-UHFFFAOYSA-N
XLogP2.51
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride?
The IUPAC name of 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride (CID 110094606) is 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride.
What is the SMILES notation for 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride?
The canonical SMILES for 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride is O=C(NC1Cc2ccc(S(=O)(=O)Cl)cc2C1)c1ccccc1.
What is the InChIKey of 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride?
The InChIKey is NRWOUQCUNGTNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c17-22(20,21)15-7-6-12-8-14(9-13(12)10-15)18-16(19)11-4-2-1-3-5-11/h1-7,10,14H,8-9H2,(H,18,19).
What are the key properties of 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride?
2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride has a molecular weight of 335.81 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-2,3-dihydro-1H-indene-5-sulfonyl chloride is sourced from PubChem (CID 110094606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).