2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene

C11H12BrN3O2S2 — CID 43742009

IUPAC2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene
SMILESNS(=O)(=O)Nc1cccc(NCc2ccc(Br)s2)c1
InChIInChI=1S/C11H12BrN3O2S2/c12-11-5-4-10(18-11)7-14-8-2-1-3-9(6-8)15-19(13,16)17/h1-6,14-15H,7H2,(H2,13,16,17)
InChIKeyYJBMLHHVSRPAFK-UHFFFAOYSA-N
MW362.27 g/mol
LogP2.74
Rot. Bonds5

About 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene

2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene (PubChem CID 43742009) has the molecular formula C11H12BrN3O2S2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene
PubChem CID43742009
Molecular FormulaC11H12BrN3O2S2
Molecular Weight362.27 g/mol
Exact Mass360.96
IUPAC Name2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene
SMILESNS(=O)(=O)Nc1cccc(NCc2ccc(Br)s2)c1
InChIInChI=1S/C11H12BrN3O2S2/c12-11-5-4-10(18-11)7-14-8-2-1-3-9(6-8)15-19(13,16)17/h1-6,14-15H,7H2,(H2,13,16,17)
InChIKeyYJBMLHHVSRPAFK-UHFFFAOYSA-N
XLogP2.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 54868489
2-ethyl-5-[[3-(sulfamoylamino)anilino]methyl]-1,3-thiazole
CID 60983417
N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 28731496
N-[(5-bromothiophen-2-yl)methyl]-3-(methylsulfinylmethyl)aniline
CID 75385435
N-[(5-bromothiophen-2-yl)methyl]-3-ethoxyaniline
CID 54864892
2-iodo-5-[[3-(sulfamoylamino)anilino]methyl]furan
CID 43790228
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
N-[(5-bromothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691850
1-bromo-3-(sulfamoylamino)benzene
CID 24707479
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
N-[(5-bromothiophen-2-yl)methyl]-3-propoxyaniline
CID 43693708
N-[(5-bromothiophen-2-yl)methyl]-4-ethylsulfonylaniline
CID 43689671

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene?
The IUPAC name of 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene (CID 43742009) is 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene.
What is the SMILES notation for 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene?
The canonical SMILES for 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene is NS(=O)(=O)Nc1cccc(NCc2ccc(Br)s2)c1.
What is the InChIKey of 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene?
The InChIKey is YJBMLHHVSRPAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2S2/c12-11-5-4-10(18-11)7-14-8-2-1-3-9(6-8)15-19(13,16)17/h1-6,14-15H,7H2,(H2,13,16,17).
What are the key properties of 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene?
2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene has a molecular weight of 362.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene is sourced from PubChem (CID 43742009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).