3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide

C16H16BrNO3S — CID 155562648

IUPAC3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C16H16BrNO3S/c17-13-4-3-5-14(10-13)22(19,20)18-11-12-8-9-21-16-7-2-1-6-15(12)16/h1-7,10,12,18H,8-9,11H2
InChIKeyDSKLKBYFQRYJIM-UHFFFAOYSA-N
MW382.28 g/mol
LogP3.29
Rot. Bonds4

About 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide

3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide (PubChem CID 155562648) has the molecular formula C16H16BrNO3S and a molecular weight of 382.28 g/mol. Its IUPAC name is 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
PubChem CID155562648
Molecular FormulaC16H16BrNO3S
Molecular Weight382.28 g/mol
Exact Mass381.00
IUPAC Name3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CCOc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C16H16BrNO3S/c17-13-4-3-5-14(10-13)22(19,20)18-11-12-8-9-21-16-7-2-1-6-15(12)16/h1-7,10,12,18H,8-9,11H2
InChIKeyDSKLKBYFQRYJIM-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide (CID 155562648) is 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1CCOc2ccccc21)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide?
The InChIKey is DSKLKBYFQRYJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3S/c17-13-4-3-5-14(10-13)22(19,20)18-11-12-8-9-21-16-7-2-1-6-15(12)16/h1-7,10,12,18H,8-9,11H2.
What are the key properties of 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide?
3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide has a molecular weight of 382.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 155562648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).