5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide

C14H15BrN2O2S2 — CID 106911151

IUPAC5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CNC2CC2)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O2S2/c15-13-7-8-14(20-13)21(18,19)17-12-3-1-10(2-4-12)9-16-11-5-6-11/h1-4,7-8,11,16-17H,5-6,9H2
InChIKeyNYJVZDNSNBCYHN-UHFFFAOYSA-N
MW387.32 g/mol
LogP3.56
Rot. Bonds6

About 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide

5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide (PubChem CID 106911151) has the molecular formula C14H15BrN2O2S2 and a molecular weight of 387.32 g/mol. Its IUPAC name is 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide
PubChem CID106911151
Molecular FormulaC14H15BrN2O2S2
Molecular Weight387.32 g/mol
Exact Mass385.98
IUPAC Name5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CNC2CC2)cc1)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O2S2/c15-13-7-8-14(20-13)21(18,19)17-12-3-1-10(2-4-12)9-16-11-5-6-11/h1-4,7-8,11,16-17H,5-6,9H2
InChIKeyNYJVZDNSNBCYHN-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(chloromethyl)phenyl]thiophene-2-sulfonamide
CID 65031324
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-[4-(2-adamantyl)phenyl]-5-bromothiophene-2-sulfonamide
CID 126180700
5-bromo-N-(4-tert-butylphenyl)thiophene-2-sulfonamide
CID 3559353
5-bromo-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 22193739
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanesulfonamide
CID 106911163
N-(tert-butylsulfamoyl)-4-[(cyclopropylamino)methyl]aniline
CID 106911133
5-bromo-N-[4-(2-methoxyethylamino)phenyl]thiophene-2-sulfonamide
CID 112981010
5-bromo-N-[4-(diethylsulfamoyl)phenyl]thiophene-2-sulfonamide
CID 2206115
5-bromo-N-(4-propoxyphenyl)thiophene-2-sulfonamide
CID 62328183
5-bromo-N-cyclopentylthiophene-2-sulfonamide
CID 893383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide (CID 106911151) is 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(CNC2CC2)cc1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is NYJVZDNSNBCYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S2/c15-13-7-8-14(20-13)21(18,19)17-12-3-1-10(2-4-12)9-16-11-5-6-11/h1-4,7-8,11,16-17H,5-6,9H2.
What are the key properties of 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide?
5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 387.32 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(cyclopropylamino)methyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 106911151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).