N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide

C8H13NO3S2 — CID 115477913

IUPACN-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1cccs1
InChIInChI=1S/C8H13NO3S2/c1-7(4-5-10)9-14(11,12)8-3-2-6-13-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyZMQZFPOHCDUAGT-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.80
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide

N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide (PubChem CID 115477913) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
PubChem CID115477913
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC NameN-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1cccs1
InChIInChI=1S/C8H13NO3S2/c1-7(4-5-10)9-14(11,12)8-3-2-6-13-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyZMQZFPOHCDUAGT-UHFFFAOYSA-N
XLogP0.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
N-(1-methoxypropan-2-yl)thiophene-2-sulfonamide
CID 3781964
N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115283498
N'-hydroxy-3-(thiophen-2-ylsulfonylamino)butanimidamide
CID 76934852
N-(1-iodo-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 107860243
(2R,3S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanamide
CID 95567579
N-propyl-2-(thiophen-2-ylsulfonylamino)propanamide
CID 46820888
(2S)-3-methyl-2-(thiophen-2-ylsulfonylamino)pentanoic acid
CID 61173993
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
N-(dicyclopropylmethyl)thiophene-2-sulfonamide
CID 31846779
N-[(2S,4R)-1,4-dihydroxy-5,5-dimethylhexan-2-yl]thiophene-2-sulfonamide
CID 100638536

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide (CID 115477913) is N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide is CC(CCO)NS(=O)(=O)c1cccs1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide?
The InChIKey is ZMQZFPOHCDUAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-7(4-5-10)9-14(11,12)8-3-2-6-13-8/h2-3,6-7,9-10H,4-5H2,1H3.
What are the key properties of N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide?
N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide has a molecular weight of 235.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 115477913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).