2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide

C14H12BrCl2NO3S2 — CID 112839269

IUPAC2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrCl2NO3S2/c1-14(2,8-3-5-9(15)6-4-8)13(19)18-23(20,21)10-7-11(16)22-12(10)17/h3-7H,1-2H3,(H,18,19)
InChIKeyAXPKLFWCZJWLIE-UHFFFAOYSA-N
MW457.20 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide

2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide (PubChem CID 112839269) has the molecular formula C14H12BrCl2NO3S2 and a molecular weight of 457.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide
PubChem CID112839269
Molecular FormulaC14H12BrCl2NO3S2
Molecular Weight457.20 g/mol
Exact Mass454.88
IUPAC Name2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide
SMILESCC(C)(C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrCl2NO3S2/c1-14(2,8-3-5-9(15)6-4-8)13(19)18-23(20,21)10-7-11(16)22-12(10)17/h3-7H,1-2H3,(H,18,19)
InChIKeyAXPKLFWCZJWLIE-UHFFFAOYSA-N
XLogP4.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.20
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-methylphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 3773428
4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 63405367
N-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 24656569
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3-methylbutanoic acid
CID 64701142
2,5-dichloro-N-(4-hydroxy-2,2-dimethylbutyl)thiophene-3-sulfonamide
CID 113318751
2,5-dichloro-N-ethylthiophene-3-sulfonamide
CID 2805979
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,2-dimethylbutanoic acid
CID 114285508
N-(6-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43520652
N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-fluoro-2-iodobenzamide
CID 112839247
4-chloro-3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43235977
N-[3-(bromomethyl)pentan-3-yl]-2,5-dichlorothiophene-3-sulfonamide
CID 113271110
N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide
CID 75404006

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide (CID 112839269) is 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide is CC(C)(C(=O)NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide?
The InChIKey is AXPKLFWCZJWLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO3S2/c1-14(2,8-3-5-9(15)6-4-8)13(19)18-23(20,21)10-7-11(16)22-12(10)17/h3-7H,1-2H3,(H,18,19).
What are the key properties of 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide?
2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide has a molecular weight of 457.20 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-methylpropanamide is sourced from PubChem (CID 112839269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).