N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H17BrN2O2S2 — CID 106061210

IUPACN-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1sccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C14H17BrN2O2S2/c1-10(2)16-9-13-14(7-8-20-13)21(18,19)17-12-6-4-3-5-11(12)15/h3-8,10,16-17H,9H2,1-2H3
InChIKeyZEMKHUOLIZWWLN-UHFFFAOYSA-N
MW389.34 g/mol
LogP3.81
Rot. Bonds6

About N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106061210) has the molecular formula C14H17BrN2O2S2 and a molecular weight of 389.34 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106061210
Molecular FormulaC14H17BrN2O2S2
Molecular Weight389.34 g/mol
Exact Mass387.99
IUPAC NameN-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCC(C)NCc1sccc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C14H17BrN2O2S2/c1-10(2)16-9-13-14(7-8-20-13)21(18,19)17-12-6-4-3-5-11(12)15/h3-8,10,16-17H,9H2,1-2H3
InChIKeyZEMKHUOLIZWWLN-UHFFFAOYSA-N
XLogP3.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106063128
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779
N-(6-methyl-2-pyridinyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106086895
3-[(2-bromophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235689
N-(2,5-dibromophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106007249
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106059096
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
2-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084380
N-(2-bromophenyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106061222
N-(2-bromo-6-fluorophenyl)-2-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106089648
N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260
N-(2-bromo-5-chloro-4-methylphenyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106078949

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106061210) is N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is CC(C)NCc1sccc1S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is ZEMKHUOLIZWWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2S2/c1-10(2)16-9-13-14(7-8-20-13)21(18,19)17-12-6-4-3-5-11(12)15/h3-8,10,16-17H,9H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 389.34 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106061210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).