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

C14H16ClNO2S2 — CID 8025055

IUPACN-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
SMILESCC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO2S2/c1-3-10(2)11-6-4-5-7-12(11)16-20(17,18)14-9-8-13(15)19-14/h4-10,16H,3H2,1-2H3/t10-/m1/s1
InChIKeyNXXGRXPELCOBBG-SNVBAGLBSA-N
MW329.87 g/mol
LogP4.72
Rot. Bonds5

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

N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 8025055) has the molecular formula C14H16ClNO2S2 and a molecular weight of 329.87 g/mol. Its IUPAC name is N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
PubChem CID8025055
Molecular FormulaC14H16ClNO2S2
Molecular Weight329.87 g/mol
Exact Mass329.03
IUPAC NameN-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide
SMILESCC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H16ClNO2S2/c1-3-10(2)11-6-4-5-7-12(11)16-20(17,18)14-9-8-13(15)19-14/h4-10,16H,3H2,1-2H3/t10-/m1/s1
InChIKeyNXXGRXPELCOBBG-SNVBAGLBSA-N
XLogP4.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]thiophene-2-sulfonamide
CID 7949986
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462
5-chloro-N-[2-(methylaminomethyl)phenyl]thiophene-2-sulfonamide
CID 43606054
4-bromo-N-(2-butan-2-ylphenyl)-2-ethylbenzenesulfonamide
CID 3822768
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
N-(2-butan-2-ylphenyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 22774422
5-chloro-N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 4729238
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-(2-butan-2-ylphenyl)-3-methylbenzenesulfonamide
CID 25036710
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
N-(2-bromo-3-ethylpentyl)-5-chlorothiophene-2-sulfonamide
CID 106288687

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide (CID 8025055) is N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide is CC[C@@H](C)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is NXXGRXPELCOBBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16ClNO2S2/c1-3-10(2)11-6-4-5-7-12(11)16-20(17,18)14-9-8-13(15)19-14/h4-10,16H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide?
N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 329.87 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-butan-2-yl]phenyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 8025055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).