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

C12H10BrN3O2S2 — CID 64899350

IUPAC2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccc(Br)s2)c(N)c1
InChIInChI=1S/C12H10BrN3O2S2/c13-12-4-2-9(19-12)7-16-20(17,18)11-3-1-8(6-14)5-10(11)15/h1-5,16H,7,15H2
InChIKeyNEFGZOFFSYOLGW-UHFFFAOYSA-N
MW372.27 g/mol
LogP2.44
Rot. Bonds4

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

2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide (PubChem CID 64899350) has the molecular formula C12H10BrN3O2S2 and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide
PubChem CID64899350
Molecular FormulaC12H10BrN3O2S2
Molecular Weight372.27 g/mol
Exact Mass370.94
IUPAC Name2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCc2ccc(Br)s2)c(N)c1
InChIInChI=1S/C12H10BrN3O2S2/c13-12-4-2-9(19-12)7-16-20(17,18)11-3-1-8(6-14)5-10(11)15/h1-5,16H,7,15H2
InChIKeyNEFGZOFFSYOLGW-UHFFFAOYSA-N
XLogP2.44
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 61127561
2-amino-4-cyano-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 64897437
2-amino-4-cyano-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64897423
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-4-methylbenzenesulfonamide
CID 79962051
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 106035109
4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 61127357
2-[(2-amino-4-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 64899773
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 61127962
2-amino-4-cyano-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115357947
N-(2-amino-4-cyanophenyl)-5-bromothiophene-2-sulfonamide
CID 78965582
2-amino-4-cyano-N-octylbenzenesulfonamide
CID 115566069
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 61128154

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide (CID 64899350) is 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCc2ccc(Br)s2)c(N)c1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide?
The InChIKey is NEFGZOFFSYOLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2S2/c13-12-4-2-9(19-12)7-16-20(17,18)11-3-1-8(6-14)5-10(11)15/h1-5,16H,7,15H2.
What are the key properties of 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide?
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide has a molecular weight of 372.27 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-cyanobenzenesulfonamide is sourced from PubChem (CID 64899350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).