5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide

C13H22BrClN2O2S2 — CID 80577767

IUPAC5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H22BrClN2O2S2/c1-4-17(5-2)8-6-7-10(3)16-21(18,19)12-9-11(15)13(14)20-12/h9-10,16H,4-8H2,1-3H3
InChIKeyFPNBSOANVRAONX-UHFFFAOYSA-N
MW417.82 g/mol
LogP3.95
Rot. Bonds9

About 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide (PubChem CID 80577767) has the molecular formula C13H22BrClN2O2S2 and a molecular weight of 417.82 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide
PubChem CID80577767
Molecular FormulaC13H22BrClN2O2S2
Molecular Weight417.82 g/mol
Exact Mass416.00
IUPAC Name5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide
SMILESCCN(CC)CCCC(C)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C13H22BrClN2O2S2/c1-4-17(5-2)8-6-7-10(3)16-21(18,19)12-9-11(15)13(14)20-12/h9-10,16H,4-8H2,1-3H3
InChIKeyFPNBSOANVRAONX-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
3-bromo-N-[(2S)-5-(diethylamino)pentan-2-yl]benzenesulfonamide
CID 8716846
5-bromo-4-methyl-N-octan-2-ylthiophene-2-sulfonamide
CID 79995355
2-chloro-5-[[(2S)-5-(diethylamino)pentan-2-yl]sulfamoyl]benzoic acid
CID 100820173
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
CID 114010398
5-bromo-N-(4-bromobutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 83180558
N-[(2R)-5-(diethylamino)pentan-2-yl]-4-methylbenzenesulfonamide
CID 40537050
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide (CID 80577767) is 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide is CCN(CC)CCCC(C)NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide?
The InChIKey is FPNBSOANVRAONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrClN2O2S2/c1-4-17(5-2)8-6-7-10(3)16-21(18,19)12-9-11(15)13(14)20-12/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide has a molecular weight of 417.82 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 80577767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).