5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide

C16H21BrN2O3S2 — CID 22500909

IUPAC5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(c1cccnc1)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H21BrN2O3S2/c1-11(2)8-13(12-4-3-7-18-9-12)14(10-20)19-24(21,22)16-6-5-15(17)23-16/h3-7,9,11,13-14,19-20H,8,10H2,1-2H3
InChIKeyHXXDBMRNPGELPH-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.37
Rot. Bonds8

About 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide

5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide (PubChem CID 22500909) has the molecular formula C16H21BrN2O3S2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide
PubChem CID22500909
Molecular FormulaC16H21BrN2O3S2
Molecular Weight433.39 g/mol
Exact Mass432.02
IUPAC Name5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide
SMILESCC(C)CC(c1cccnc1)C(CO)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C16H21BrN2O3S2/c1-11(2)8-13(12-4-3-7-18-9-12)14(10-20)19-24(21,22)16-6-5-15(17)23-16/h3-7,9,11,13-14,19-20H,8,10H2,1-2H3
InChIKeyHXXDBMRNPGELPH-UHFFFAOYSA-N
XLogP3.37
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 22500884
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
5-bromo-N-[(2R,3R)-3-(furan-2-yl)-1-hydroxypentan-2-yl]thiophene-2-sulfonamide
CID 10294016
N-[(2S,3S)-1-hydroxy-5-methyl-3-phenylhexan-2-yl]benzenesulfonamide
CID 154511654
5-bromo-N-[(2S)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
CID 11476060
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
5-bromo-N-[(2R,3R)-1-hydroxy-3-methylnonan-2-yl]thiophene-2-sulfonamide
CID 10200862
5-chloro-N-[(2S,3R)-3-(furan-2-yl)-1-hydroxy-5-methylhexan-2-yl]thiophene-2-sulfonamide
CID 66929668
5-bromo-N-[3-(furan-2-yl)-1-hydroxynonan-2-yl]thiophene-2-sulfonamide
CID 23001715
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
5-bromo-N-(2-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 107158212

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide (CID 22500909) is 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide is CC(C)CC(c1cccnc1)C(CO)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide?
The InChIKey is HXXDBMRNPGELPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3S2/c1-11(2)8-13(12-4-3-7-18-9-12)14(10-20)19-24(21,22)16-6-5-15(17)23-16/h3-7,9,11,13-14,19-20H,8,10H2,1-2H3.
What are the key properties of 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide has a molecular weight of 433.39 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-hydroxy-5-methyl-3-pyridin-3-ylhexan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 22500909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).