5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide

C10H13BrClNO3S2 — CID 115685447

IUPAC5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C1CCOC1
InChIInChI=1S/C10H13BrClNO3S2/c1-6(7-2-3-16-5-7)13-18(14,15)9-4-8(12)10(11)17-9/h4,6-7,13H,2-3,5H2,1H3
InChIKeyWNNJKGQYVJBHQO-UHFFFAOYSA-N
MW374.71 g/mol
LogP2.87
Rot. Bonds4

About 5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide

5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 115685447) has the molecular formula C10H13BrClNO3S2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
PubChem CID115685447
Molecular FormulaC10H13BrClNO3S2
Molecular Weight374.71 g/mol
Exact Mass372.92
IUPAC Name5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C1CCOC1
InChIInChI=1S/C10H13BrClNO3S2/c1-6(7-2-3-16-5-7)13-18(14,15)9-4-8(12)10(11)17-9/h4,6-7,13H,2-3,5H2,1H3
InChIKeyWNNJKGQYVJBHQO-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577887
3-[(5-bromo-4-chlorothiophen-2-yl)-chloromethyl]oxolane
CID 80533380
4-bromo-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 116528880
3-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650641
2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 103989534
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
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-2-cyclopropylethanethioamide
CID 80577614
3-amino-5-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 114380331
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
5-bromo-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650639
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide (CID 115685447) is 5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide is CC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C1CCOC1.
What is the InChIKey of 5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WNNJKGQYVJBHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S2/c1-6(7-2-3-16-5-7)13-18(14,15)9-4-8(12)10(11)17-9/h4,6-7,13H,2-3,5H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide?
5-bromo-4-chloro-N-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 374.71 g/mol, XLogP of 2.87, 4 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-[1-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 115685447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).