N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide

C11H10BrNO2S2 — CID 1246435

IUPACN-[(2-bromophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1cccs1
InChIInChI=1S/C11H10BrNO2S2/c12-10-5-2-1-4-9(10)8-13-17(14,15)11-6-3-7-16-11/h1-7,13H,8H2
InChIKeyNROPKIPQDBNFSR-UHFFFAOYSA-N
MW332.24 g/mol
LogP2.99
Rot. Bonds4

About N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide

N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide (PubChem CID 1246435) has the molecular formula C11H10BrNO2S2 and a molecular weight of 332.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]thiophene-2-sulfonamide
PubChem CID1246435
Molecular FormulaC11H10BrNO2S2
Molecular Weight332.24 g/mol
Exact Mass330.93
IUPAC NameN-[(2-bromophenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1Br)c1cccs1
InChIInChI=1S/C11H10BrNO2S2/c12-10-5-2-1-4-9(10)8-13-17(14,15)11-6-3-7-16-11/h1-7,13H,8H2
InChIKeyNROPKIPQDBNFSR-UHFFFAOYSA-N
XLogP2.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide (CID 1246435) is N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccccc1Br)c1cccs1.
What is the InChIKey of N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is NROPKIPQDBNFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S2/c12-10-5-2-1-4-9(10)8-13-17(14,15)11-6-3-7-16-11/h1-7,13H,8H2.
What are the key properties of N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide?
N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 332.24 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 1246435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).