1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide

C6H9BrN2O4S3 — CID 91128885

IUPAC1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide
SMILESNS(=O)(=O)CNS(=O)(=O)Cc1ccc(Br)s1
InChIInChI=1S/C6H9BrN2O4S3/c7-6-2-1-5(14-6)3-16(12,13)9-4-15(8,10)11/h1-2,9H,3-4H2,(H2,8,10,11)
InChIKeyFWJXDQZDYPBQHP-UHFFFAOYSA-N
MW349.25 g/mol
LogP0.18
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide

1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide (PubChem CID 91128885) has the molecular formula C6H9BrN2O4S3 and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide
PubChem CID91128885
Molecular FormulaC6H9BrN2O4S3
Molecular Weight349.25 g/mol
Exact Mass347.89
IUPAC Name1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide
SMILESNS(=O)(=O)CNS(=O)(=O)Cc1ccc(Br)s1
InChIInChI=1S/C6H9BrN2O4S3/c7-6-2-1-5(14-6)3-16(12,13)9-4-15(8,10)11/h1-2,9H,3-4H2,(H2,8,10,11)
InChIKeyFWJXDQZDYPBQHP-UHFFFAOYSA-N
XLogP0.18
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]methanesulfonamide
CID 106035136
(2R)-2-[(5-bromothiophen-2-yl)methylsulfonyl]propanamide
CID 94216030
4-amino-N-[(5-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 61127357
2-bromo-5-[(2-fluorophenyl)sulfonylmethyl]thiophene
CID 47457030
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2-bromo-5-[[3-(sulfamoylamino)anilino]methyl]thiophene
CID 43742009
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]benzenesulfonamide
CID 104868385
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methylbenzenesulfonamide
CID 61127962
methyl 2-[1-[(5-bromothiophen-2-yl)methylsulfonylmethyl]cyclopropyl]acetate
CID 107776694
2-[(5-bromothiophen-2-yl)methylsulfonyl]-4-methoxyaniline
CID 81206584
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 61127561
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide (CID 91128885) is 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide is NS(=O)(=O)CNS(=O)(=O)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide?
The InChIKey is FWJXDQZDYPBQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O4S3/c7-6-2-1-5(14-6)3-16(12,13)9-4-15(8,10)11/h1-2,9H,3-4H2,(H2,8,10,11).
What are the key properties of 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide?
1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide has a molecular weight of 349.25 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-(sulfamoylmethyl)methanesulfonamide is sourced from PubChem (CID 91128885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).