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

C14H25BrN2O3S — CID 106055502

IUPAC2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CNC(C)C)oc1Br
InChIInChI=1S/C14H25BrN2O3S/c1-5-7-11(6-2)17-21(18,19)13-8-12(20-14(13)15)9-16-10(3)4/h8,10-11,16-17H,5-7,9H2,1-4H3
InChIKeyOBDPMAVUGQDNKR-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.40
Rot. Bonds9

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

2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (PubChem CID 106055502) has the molecular formula C14H25BrN2O3S and a molecular weight of 381.34 g/mol. Its IUPAC name is 2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
PubChem CID106055502
Molecular FormulaC14H25BrN2O3S
Molecular Weight381.34 g/mol
Exact Mass380.08
IUPAC Name2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CNC(C)C)oc1Br
InChIInChI=1S/C14H25BrN2O3S/c1-5-7-11(6-2)17-21(18,19)13-8-12(20-14(13)15)9-16-10(3)4/h8,10-11,16-17H,5-7,9H2,1-4H3
InChIKeyOBDPMAVUGQDNKR-UHFFFAOYSA-N
XLogP3.40
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
CID 106055358
2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide
CID 106055474
2-bromo-N-(3-methylpentan-3-yl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106331726
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265
2-bromo-N-(4-methylpentyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106017116
2-bromo-N-(2-methylsulfanylethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106063842
2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106018821
2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106423889
N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114134681
5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
CID 106066783

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide (CID 106055502) is 2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1cc(CNC(C)C)oc1Br.
What is the InChIKey of 2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
The InChIKey is OBDPMAVUGQDNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN2O3S/c1-5-7-11(6-2)17-21(18,19)13-8-12(20-14(13)15)9-16-10(3)4/h8,10-11,16-17H,5-7,9H2,1-4H3.
What are the key properties of 2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide?
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide has a molecular weight of 381.34 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide is sourced from PubChem (CID 106055502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).