N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide

C8H12ClNO2S2 — CID 893448

IUPACN-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-3-6(2)10-14(11,12)8-5-4-7(9)13-8/h4-6,10H,3H2,1-2H3/t6-/m1/s1
InChIKeyLWFQDNUNDYLCIE-ZCFIWIBFSA-N
MW253.78 g/mol
LogP2.48
Rot. Bonds4

About N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide

N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide (PubChem CID 893448) has the molecular formula C8H12ClNO2S2 and a molecular weight of 253.78 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide
PubChem CID893448
Molecular FormulaC8H12ClNO2S2
Molecular Weight253.78 g/mol
Exact Mass253.00
IUPAC NameN-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H12ClNO2S2/c1-3-6(2)10-14(11,12)8-5-4-7(9)13-8/h4-6,10H,3H2,1-2H3/t6-/m1/s1
InChIKeyLWFQDNUNDYLCIE-ZCFIWIBFSA-N
XLogP2.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide (CID 893448) is N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide is CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is LWFQDNUNDYLCIE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12ClNO2S2/c1-3-6(2)10-14(11,12)8-5-4-7(9)13-8/h4-6,10H,3H2,1-2H3/t6-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide?
N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 253.78 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 893448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).