2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

C14H23BrN2O3S — CID 106027265

IUPAC2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NCC2CCCC2)c(Br)o1
InChIInChI=1S/C14H23BrN2O3S/c1-10(2)16-9-12-7-13(14(15)20-12)21(18,19)17-8-11-5-3-4-6-11/h7,10-11,16-17H,3-6,8-9H2,1-2H3
InChIKeyNDWKDDGRMVIBJW-UHFFFAOYSA-N
MW379.32 g/mol
LogP3.01
Rot. Bonds7

About 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide

2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (PubChem CID 106027265) has the molecular formula C14H23BrN2O3S and a molecular weight of 379.32 g/mol. Its IUPAC name is 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
PubChem CID106027265
Molecular FormulaC14H23BrN2O3S
Molecular Weight379.32 g/mol
Exact Mass378.06
IUPAC Name2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCC(C)NCc1cc(S(=O)(=O)NCC2CCCC2)c(Br)o1
InChIInChI=1S/C14H23BrN2O3S/c1-10(2)16-9-12-7-13(14(15)20-12)21(18,19)17-8-11-5-3-4-6-11/h7,10-11,16-17H,3-6,8-9H2,1-2H3
InChIKeyNDWKDDGRMVIBJW-UHFFFAOYSA-N
XLogP3.01
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
2-bromo-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106063842
2-bromo-N-(4-methylpentyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106017116
2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106423889
2-bromo-N-(3-methylpentan-3-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106331726
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
5-bromo-4-(cyclohexylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803810
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
2-bromo-5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)furan-3-sulfonamide
CID 106031935
2-bromo-5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)furan-3-sulfonamide
CID 115409144
N-(2-cyclopropylpropan-2-yl)-2-methyl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106091261

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (CID 106027265) is 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is CC(C)NCc1cc(S(=O)(=O)NCC2CCCC2)c(Br)o1.
What is the InChIKey of 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The InChIKey is NDWKDDGRMVIBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O3S/c1-10(2)16-9-12-7-13(14(15)20-12)21(18,19)17-8-11-5-3-4-6-11/h7,10-11,16-17H,3-6,8-9H2,1-2H3.
What are the key properties of 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide has a molecular weight of 379.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106027265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).