N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide

C14H14Cl2N2O3S2 — CID 29099572

IUPACN-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O3S2/c1-8(2)14(19)17-9-3-5-10(6-4-9)18-23(20,21)11-7-12(15)22-13(11)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyGTRLRXPRJKHFHL-UHFFFAOYSA-N
MW393.32 g/mol
LogP4.45
Rot. Bonds5

About N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide

N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide (PubChem CID 29099572) has the molecular formula C14H14Cl2N2O3S2 and a molecular weight of 393.32 g/mol. Its IUPAC name is N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
PubChem CID29099572
Molecular FormulaC14H14Cl2N2O3S2
Molecular Weight393.32 g/mol
Exact Mass391.98
IUPAC NameN-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C14H14Cl2N2O3S2/c1-8(2)14(19)17-9-3-5-10(6-4-9)18-23(20,21)11-7-12(15)22-13(11)16/h3-8,18H,1-2H3,(H,17,19)
InChIKeyGTRLRXPRJKHFHL-UHFFFAOYSA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide (CID 29099572) is N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide?
The InChIKey is GTRLRXPRJKHFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3S2/c1-8(2)14(19)17-9-3-5-10(6-4-9)18-23(20,21)11-7-12(15)22-13(11)16/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide?
N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide has a molecular weight of 393.32 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 29099572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).