N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide

C8H10BrNO2S2 — CID 64552631

IUPACN-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cc(Br)cs1)C1CC1
InChIInChI=1S/C8H10BrNO2S2/c9-6-3-7(13-5-6)4-10-14(11,12)8-1-2-8/h3,5,8,10H,1-2,4H2
InChIKeyCTIMAGAZTGOMIO-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.09
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide

N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide (PubChem CID 64552631) has the molecular formula C8H10BrNO2S2 and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide
PubChem CID64552631
Molecular FormulaC8H10BrNO2S2
Molecular Weight296.21 g/mol
Exact Mass294.93
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cc(Br)cs1)C1CC1
InChIInChI=1S/C8H10BrNO2S2/c9-6-3-7(13-5-6)4-10-14(11,12)8-1-2-8/h3,5,8,10H,1-2,4H2
InChIKeyCTIMAGAZTGOMIO-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2-cyclohexylsulfonylethanamine
CID 106513036
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclopropanesulfonamide
CID 64552630
2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 47319560
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 79987387
N-[(4-bromothiophen-2-yl)methyl]-1-(4-cyanophenyl)methanesulfonamide
CID 61068581
N-[(4-bromothiophen-2-yl)methyl]cyclopent-3-en-1-amine
CID 115696389
N-[(5-bromo-2-nitrophenyl)methyl]cyclopropanesulfonamide
CID 169221110
N-[(4-bromothiophen-2-yl)methyl]-N-methylcyclohexanesulfonamide
CID 54984667
2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 103254834
N-[(4-bromothiophen-2-yl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 47331653
3-[(4-bromothiophen-2-yl)methylamino]-3-cyclopropylpropan-1-ol
CID 115646629

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide (CID 64552631) is N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide is O=S(=O)(NCc1cc(Br)cs1)C1CC1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide?
The InChIKey is CTIMAGAZTGOMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S2/c9-6-3-7(13-5-6)4-10-14(11,12)8-1-2-8/h3,5,8,10H,1-2,4H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide?
N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide has a molecular weight of 296.21 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 64552631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).