5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide

C7H9BrClNO3S2 — CID 80577968

IUPAC5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
SMILESCC(CO)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H9BrClNO3S2/c1-4(3-11)10-15(12,13)6-2-5(9)7(8)14-6/h2,4,10-11H,3H2,1H3
InChIKeyQLSINEASUJNKJX-UHFFFAOYSA-N
MW334.64 g/mol
LogP1.82
Rot. Bonds4

About 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide (PubChem CID 80577968) has the molecular formula C7H9BrClNO3S2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
PubChem CID80577968
Molecular FormulaC7H9BrClNO3S2
Molecular Weight334.64 g/mol
Exact Mass332.89
IUPAC Name5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
SMILESCC(CO)NS(=O)(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C7H9BrClNO3S2/c1-4(3-11)10-15(12,13)6-2-5(9)7(8)14-6/h2,4,10-11H,3H2,1H3
InChIKeyQLSINEASUJNKJX-UHFFFAOYSA-N
XLogP1.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
5-bromo-N-(1-hydroxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 79988466
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 80580103
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
5-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]thiophene-2-sulfonamide
CID 103825674
5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide
CID 80577767
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
CID 80577530
5-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-chlorothiophene-2-sulfonamide
CID 107868984
5-bromo-4-chloro-N-[(1S)-1-phenylethyl]thiophene-2-sulfonamide
CID 114010398
2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide
CID 115685414

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide (CID 80577968) is 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide is CC(CO)NS(=O)(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide?
The InChIKey is QLSINEASUJNKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClNO3S2/c1-4(3-11)10-15(12,13)6-2-5(9)7(8)14-6/h2,4,10-11H,3H2,1H3.
What are the key properties of 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide has a molecular weight of 334.64 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 80577968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).