4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide

C10H16ClNO2S2 — CID 102676201

IUPAC4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCl)c1cccs1
InChIInChI=1S/C10H16ClNO2S2/c1-9(10-5-4-7-15-10)12-16(13,14)8-3-2-6-11/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyMCOLMJXXDOPHSL-SECBINFHSA-N
MW281.83 g/mol
LogP2.75
Rot. Bonds7

About 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide

4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide (PubChem CID 102676201) has the molecular formula C10H16ClNO2S2 and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
PubChem CID102676201
Molecular FormulaC10H16ClNO2S2
Molecular Weight281.83 g/mol
Exact Mass281.03
IUPAC Name4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide
SMILESC[C@@H](NS(=O)(=O)CCCCCl)c1cccs1
InChIInChI=1S/C10H16ClNO2S2/c1-9(10-5-4-7-15-10)12-16(13,14)8-3-2-6-11/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyMCOLMJXXDOPHSL-SECBINFHSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(propan-2-ylamino)-N-(1-thiophen-2-ylethyl)propane-1-sulfonamide
CID 54972175
4-chloro-N-[1-(2-chlorophenyl)ethyl]butane-1-sulfonamide
CID 116815054
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 107858607
3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]propane-1-sulfonamide
CID 54877167
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]butane-1-sulfonamide
CID 114009928
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propane-1-sulfonamide
CID 107858598
4-chloro-N-[1-(2,4-difluorophenyl)ethyl]butane-1-sulfonamide
CID 116815561
N-[1-(4-tert-butylphenyl)ethyl]-3-chloropropane-1-sulfonamide
CID 60958604
4-(propylamino)-N-(1-thiophen-2-ylpropyl)butane-1-sulfonamide
CID 106053458
4-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butane-1-sulfonamide
CID 106003944

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide (CID 102676201) is 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide is C[C@@H](NS(=O)(=O)CCCCCl)c1cccs1.
What is the InChIKey of 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide?
The InChIKey is MCOLMJXXDOPHSL-SECBINFHSA-N. The full InChI is InChI=1S/C10H16ClNO2S2/c1-9(10-5-4-7-15-10)12-16(13,14)8-3-2-6-11/h4-5,7,9,12H,2-3,6,8H2,1H3/t9-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide?
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide has a molecular weight of 281.83 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-thiophen-2-ylethyl]butane-1-sulfonamide is sourced from PubChem (CID 102676201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).