4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide

C11H11BrN2O2S2 — CID 61127357

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccc(Br)s2)cc1
InChIInChI=1S/C11H11BrN2O2S2/c12-11-6-3-9(17-11)7-14-18(15,16)10-4-1-8(13)2-5-10/h1-6,14H,7,13H2
InChIKeyNXNMGADPHPUUNR-UHFFFAOYSA-N
MW347.26 g/mol
LogP2.57
Rot. Bonds4

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 61127357) has the molecular formula C11H11BrN2O2S2 and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide
PubChem CID61127357
Molecular FormulaC11H11BrN2O2S2
Molecular Weight347.26 g/mol
Exact Mass345.94
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccc(Br)s2)cc1
InChIInChI=1S/C11H11BrN2O2S2/c12-11-6-3-9(17-11)7-14-18(15,16)10-4-1-8(13)2-5-10/h1-6,14H,7,13H2
InChIKeyNXNMGADPHPUUNR-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 61127962
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 61127561
5-[(5-bromothiophen-2-yl)methylsulfamoyl]-2-fluorobenzoic acid
CID 60745473
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 61128154
4-[(5-bromothiophen-2-yl)methylsulfamoyl]-2-methylbenzenecarbothioamide
CID 106920245
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide
CID 64899350
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 104868385
1-(4-aminophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]methanesulfonamide
CID 106035136
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962051
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]acetamide
CID 54904398
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-chlorobenzenesulfonamide
CID 106035186

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide (CID 61127357) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2ccc(Br)s2)cc1.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is NXNMGADPHPUUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S2/c12-11-6-3-9(17-11)7-14-18(15,16)10-4-1-8(13)2-5-10/h1-6,14H,7,13H2.
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 347.26 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61127357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).