5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide

C10H15BrClNO2S2 — CID 80580103

IUPAC5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C(C)C
InChIInChI=1S/C10H15BrClNO2S2/c1-4-8(6(2)3)13-17(14,15)9-5-7(12)10(11)16-9/h5-6,8,13H,4H2,1-3H3
InChIKeyINDVKFUDGKUTJA-UHFFFAOYSA-N
MW360.73 g/mol
LogP3.88
Rot. Bonds5

About 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide

5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide (PubChem CID 80580103) has the molecular formula C10H15BrClNO2S2 and a molecular weight of 360.73 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
PubChem CID80580103
Molecular FormulaC10H15BrClNO2S2
Molecular Weight360.73 g/mol
Exact Mass358.94
IUPAC Name5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
SMILESCCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C(C)C
InChIInChI=1S/C10H15BrClNO2S2/c1-4-8(6(2)3)13-17(14,15)9-5-7(12)10(11)16-9/h5-6,8,13H,4H2,1-3H3
InChIKeyINDVKFUDGKUTJA-UHFFFAOYSA-N
XLogP3.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.73
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide
CID 79994653
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]butanoic acid
CID 80577604
N-(1-aminopropan-2-yl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577776
5-bromo-4-chloro-N-(1-hydroxypropan-2-yl)thiophene-2-sulfonamide
CID 80577968
5-bromo-4-chloro-N-(1-cyano-2-methylpropyl)thiophene-2-sulfonamide
CID 80577530
(2R)-2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-3-methylbutanoic acid
CID 80577603
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
5-bromo-4-chloro-N-[5-(diethylamino)pentan-2-yl]thiophene-2-sulfonamide
CID 80577767
2-chloro-N-(2-methylpentan-3-yl)-1,3-thiazole-5-sulfonamide
CID 61472310
5-bromo-4-chloro-N-[(2R)-2-hydroxypropyl]thiophene-2-sulfonamide
CID 83030123
N-(2-amino-1-cyclopropylethyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80577887

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide (CID 80580103) is 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide is CCC(NS(=O)(=O)c1cc(Cl)c(Br)s1)C(C)C.
What is the InChIKey of 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
The InChIKey is INDVKFUDGKUTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrClNO2S2/c1-4-8(6(2)3)13-17(14,15)9-5-7(12)10(11)16-9/h5-6,8,13H,4H2,1-3H3.
What are the key properties of 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide?
5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide has a molecular weight of 360.73 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(2-methylpentan-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 80580103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).