N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide

C15H16Cl2N2O3S2 — CID 24656569

IUPACN-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C15H16Cl2N2O3S2/c1-15(2,3)14(20)18-9-5-4-6-10(7-9)19-24(21,22)11-8-12(16)23-13(11)17/h4-8,19H,1-3H3,(H,18,20)
InChIKeyGWRZTXNHYQMJTD-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.84
Rot. Bonds4

About N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide

N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 24656569) has the molecular formula C15H16Cl2N2O3S2 and a molecular weight of 407.34 g/mol. Its IUPAC name is N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID24656569
Molecular FormulaC15H16Cl2N2O3S2
Molecular Weight407.34 g/mol
Exact Mass406.00
IUPAC NameN-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C15H16Cl2N2O3S2/c1-15(2,3)14(20)18-9-5-4-6-10(7-9)19-24(21,22)11-8-12(16)23-13(11)17/h4-8,19H,1-3H3,(H,18,20)
InChIKeyGWRZTXNHYQMJTD-UHFFFAOYSA-N
XLogP4.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(3-methylsulfonylphenyl)thiophene-3-sulfonamide
CID 18289175
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
2,2-dimethyl-N-[3-[(2,3,4-trifluorophenyl)sulfonylamino]phenyl]propanamide
CID 24656547
N-[3-[(4-acetamidophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 1026291
N-anthracen-2-yl-2,5-dichlorothiophene-3-sulfonamide
CID 3600344
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
CID 29099572
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
2,5-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]thiophene-3-sulfonamide
CID 26268476
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-(4-amino-3-chlorophenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604417
N-[3-[(2-ethyl-1,3-dihydroisoindol-5-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 18343259

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide (CID 24656569) is N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is GWRZTXNHYQMJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O3S2/c1-15(2,3)14(20)18-9-5-4-6-10(7-9)19-24(21,22)11-8-12(16)23-13(11)17/h4-8,19H,1-3H3,(H,18,20).
What are the key properties of N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide?
N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 407.34 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24656569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).