N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide

C12H12BrNO2S2 — CID 110789741

IUPACN-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C12H12BrNO2S2/c13-10-8-11(17-9-10)6-7-14-18(15,16)12-4-2-1-3-5-12/h1-5,8-9,14H,6-7H2
InChIKeyLQQBAKOAAGEIOH-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide

N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 110789741) has the molecular formula C12H12BrNO2S2 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID110789741
Molecular FormulaC12H12BrNO2S2
Molecular Weight346.27 g/mol
Exact Mass344.95
IUPAC NameN-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1cc(Br)cs1)c1ccccc1
InChIInChI=1S/C12H12BrNO2S2/c13-10-8-11(17-9-10)6-7-14-18(15,16)12-4-2-1-3-5-12/h1-5,8-9,14H,6-7H2
InChIKeyLQQBAKOAAGEIOH-UHFFFAOYSA-N
XLogP3.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[5-(hydroxymethyl)thiophen-3-yl]ethyl]benzenesulfonamide
CID 139687321
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
N-[2-(5-bromo-3-pyridinyl)ethyl]benzenesulfonamide
CID 90765616
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
2-[2-(benzenesulfonamido)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374307
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773762
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
N-(2-iodoethyl)benzenesulfonamide
CID 68718657
N-(4-bromobutyl)benzenesulfonamide
CID 106846700
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 104868385
3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 55866733
N-[2-(3,4-dihydroxyphenyl)ethyl]benzenesulfonamide
CID 90129375

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide (CID 110789741) is N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1cc(Br)cs1)c1ccccc1.
What is the InChIKey of N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is LQQBAKOAAGEIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2S2/c13-10-8-11(17-9-10)6-7-14-18(15,16)12-4-2-1-3-5-12/h1-5,8-9,14H,6-7H2.
What are the key properties of N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide?
N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 346.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromothiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110789741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).